A0A077YZ33_TRITR Loading...

Peptidyl-prolyl cis-trans isomerase

AlphaFold DB , UniProt , Accession A0A077YZ33, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	35.2	Very low	236 Å²	236	150.7 Å²	150.7	100%	1.163	83%	0.825	S	S	*	*				0	90.9	0	-64.7	174.9	-175.8	0	0	103.2
2	D	41.5	Very low	34.9	Very low	157 Å²	157	143.6 Å²	143.6	84%	0.84	81%	0.813	S	S	*	*				-132.4	138.5	52.5	-72.9	-77.8	0	0	0	114.3
3	D	30.7	Very low	34.5	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	82%	0.82	S	S	*	*			trans	-76.9	115.5	166.6	178.4	50.5	0	0	0	107.9
4	L	38.4	Very low	34.9	Very low	161 Å²	161	144.5 Å²	144.5	84%	0.843	81%	0.814	S	S	*	*			trans	-127.3	92.3	164.1	-72.6	-180	0	0	0	107.8	V6	L4-V6 PolarHBondContact O-N 3.11Å
5	A	33.6	Very low	35	Very low	82 Å²	82	143.3 Å²	143.3	68%	0.678	81%	0.814	S	S	*	*			trans	-43.6	120.8	168.2	0	0	0	0	0	111.4
6	V	39.6	Very low	35.2	Very low	138 Å²	138	141.8 Å²	141.8	84%	0.836	82%	0.816	S	S	*	*			trans	-84.1	121	162.3	-78.3	0	0	0	0	107.6	L4	L4-V6 PolarHBondContact O-N 3.11Å
7	P	33.3	Very low	35.7	Very low	127 Å²	127	137.2 Å²	137.2	83%	0.825	81%	0.807	S	S	*	*			trans	-68.4	137.5	-173.6	24.2	-31.3	0	0	0	112.8
8	D	33	Very low	36.1	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	81%	0.809	S	S	*	*			trans	-18	145.7	163.3	-149.4	-115.3	0	0	0	119.1	Q10	D8-Q10 PolarHBondContact O-N 3.48Å
9	E	29.8	Very low	36.9	Very low	153 Å²	153	135.4 Å²	135.4	72%	0.715	80%	0.795	S	S	*	*			trans	-46	119.1	169.7	-71.5	170.1	70.2	0	0	113.2	T11	E9-T11 VanDerWaalsContact C-N 3.31Å; E9-T11 HydrophobicContact CB-CG2 4.02Å; E9-T11 PolarHBondContact O-N 3.02Å
10	Q	36.1	Very low	37.9	Very low	201 Å²	201	133.9 Å²	133.9	94%	0.939	80%	0.799	S	S	*	*			trans	-81.4	89.3	150.2	-88	176.5	34.9	0	0	108.6	D8 G12	D8-Q10 PolarHBondContact O-N 3.48Å; Q10-G12 PolarHBondContact O-N 3.39Å
11	T	30.6	Very low	39.3	Very low	111 Å²	111	131.5 Å²	131.5	68%	0.681	79%	0.785	S	S	*	*			trans	-65.3	72.2	160.3	55.4	0	0	0	0	109.3	E9 E13	E9-T11 VanDerWaalsContact C-N 3.31Å; E9-T11 HydrophobicContact CB-CG2 4.02Å; E9-T11 PolarHBondContact O-N 3.02Å; T11-E13 VanDerWaalsContact C-N 3.29Å; T11-E13 PolarHBondContact O-N 3.03Å
12	G	31.7	Very low	41.3	Very low	65 Å²	65	125.8 Å²	125.8	67%	0.67	77%	0.766	S	S	*	*			trans	-84.4	74.5	170.9	0	0	0	0	0	109.9	Q10 S14	Q10-G12 PolarHBondContact O-N 3.39Å; G12-S14 PolarHBondContact O-N 3.37Å
13	E	29.5	Very low	43.3	Very low	194 Å²	194	120.9 Å²	120.9	91%	0.907	74%	0.739	S	S	*	*			trans	-60.3	116	167.2	-151.3	152	95	0	0	108	T11	T11-E13 VanDerWaalsContact C-N 3.29Å; T11-E13 PolarHBondContact O-N 3.03Å
14	S	39.4	Very low	45.9	Very low	106 Å²	106	115.3 Å²	115.3	74%	0.741	71%	0.711	S	S	*	*			trans	-130.3	130.2	170.9	-77.5	0	0	0	0	109.2	G12	G12-S14 PolarHBondContact O-N 3.37Å
15	P	37.2	Very low	48.3	Very low	126 Å²	126	115.3 Å²	115.3	82%	0.818	70%	0.704	S	S	*	*			trans	-73.6	153.6	-156.4	28.2	-34.1	0	0	0	112.5	G17	P15-G17 PolarHBondContact O-N 2.89Å
16	S	37.5	Very low	50.9	Low	120 Å²	120	112.1 Å²	112.1	84%	0.839	68%	0.679	S	S	*	*			trans	-56.8	76.2	172.4	-175	0	0	0	0	112.2
17	G	43.6	Very low	53.3	Low	64 Å²	64	107.4 Å²	107.4	66%	0.66	65%	0.647	S	S	*	*			trans	-85.3	107.4	166.4	0	0	0	0	0	109.2	P15 D19	P15-G17 PolarHBondContact O-N 2.89Å; G17-D19 PolarHBondContact O-N 2.88Å
18	T	43.4	Very low	56.1	Low	138 Å²	138	105.1 Å²	105.1	85%	0.847	63%	0.625	S	S	*	*			trans	-66.8	68.3	171.2	49.8	0	0	0	0	110.5	A20	T18-A20 PolarHBondContact O-N 3.31Å
19	D	51.4	Low	59	Low	102 Å²	102	103.4 Å²	103.4	55%	0.545	61%	0.61	S	S	.	*			trans	-95.6	96.7	171.6	-154.7	-81.2	0	0	0	108.4	G17 T21 R52	G17-D19 PolarHBondContact O-N 2.88Å; D19-T21 PolarHBondContact O-N 2.83Å; D19-T21 WeakPolarHBondContact OD1-CB 3.17Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.01Å; D19-T21 PolarHBondContact OD1-OG1 2.76Å; D19-R52 PolarHBondContact O-NH1 3.37Å; D19-R52 VanDerWaalsContact O-NH1 3.15Å
20	A	57	Low	62	Low	105 Å²	105	99.8 Å²	99.8	87%	0.868	59%	0.59	S	S	*	*			trans	-76.3	38.6	-177.9	0	0	0	0	0	112.2	T18	T18-A20 PolarHBondContact O-N 3.31Å
21	T	67.8	Low	64.7	Low	83 Å²	83	95.8 Å²	95.8	51%	0.509	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-79.3	134.2	175.1	39.2	0	0	0	0	110.8	D19	D19-T21 PolarHBondContact O-N 2.83Å; D19-T21 WeakPolarHBondContact OD1-CB 3.17Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.01Å; D19-T21 PolarHBondContact OD1-OG1 2.76Å
22	P	82.2	Confident	67.2	Low	117 Å²	117	91.4 Å²	91.4	76%	0.76	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-62.9	150	173.9	27.4	-33.6	0	0	0	109.9
23	L	83.2	Confident	69.9	Low	53 Å²	53	100.4 Å²	100.4	28%	0.277	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-61.1	142.1	178.6	-75.2	161.4	0	0	0	110.7	W27 K29 Y40 R52 P53	L23-W27 HydrophobicContact CB-CB 4.38Å; L23-K29 HydrophobicContact CD1-CB 3.56Å; L23-Y40 HydrophobicContact CD1-CD1 4.07Å; L23-Y40 HydrophobicContact CD1-CE1 4.16Å; L23-Y40 HydrophobicContact CD2-CD1 3.53Å; L23-Y40 HydrophobicContact CD2-CE1 3.49Å; L23-Y40 VanDerWaalsContact CD2-CE1 3.49Å; L23-Y40 HydrophobicContact CG-CD1 4.47Å; L23-Y40 HydrophobicContact CG-CE1 4.4Å; L23-R52 HydrophobicContact CD2-CG 4.08Å; L23-P53 HydrophobicContact CD2-CG 4.1Å
24	P	86.5	Confident	72.4	Confident	29 Å²	29	96.4 Å²	96.4	19%	0.188	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-57.2	150.2	175	-21.8	31.9	0	0	0	111.5	G26 W27 P53 K55 P56	P24-G26 PolarHBondContact O-N 3.39Å; P24-W27 PolarHBondContact O-N 3.42Å; P24-W27 VanDerWaalsContact O-N 3.12Å; P24-P53 WeakPolarHBondContact CD-O 3.37Å; P24-P53 WeakPolarHBondContact CG-O 3.43Å; P24-K55 WeakPolarHBondContact CB-O 3.44Å; P24-P56 VanDerWaalsContact CB-CA 3.45Å; P24-P56 HydrophobicContact CB-CB 4.45Å; P24-P56 HydrophobicContact CB-CG 4.34Å; P24-P56 VanDerWaalsContact CB-N 3.33Å
25	K	88.1	Confident	74.5	Confident	160 Å²	160	95 Å²	95	70%	0.696	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	129.8	-177	-177.6	179.9	178.2	-177.9	0	111.5	P56 A57	K25-P56 CarbonylContact O-C 3.5Å; K25-A57 PolarHBondContact O-N 3.24Å
26	G	87.1	Confident	77	Confident	15 Å²	15	91.4 Å²	91.4	16%	0.155	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	5.6	177.1	0	0	0	0	0	115.4	P24 T43 A57	P24-G26 PolarHBondContact O-N 3.39Å; G26-T43 WeakPolarHBondContact CA-OG1 3.06Å; G26-T43 PolarHBondContact O-N 3.36Å; G26-T43 PolarHBondContact O-OG1 3.15Å; G26-A57 WeakPolarHBondContact O-CB 3.3Å
27	W	91.6	Very high	79.4	Confident	40 Å²	40	92.5 Å²	92.5	15%	0.152	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.2	166.2	-69.9	103	0	0	0	111.5	L23 P24 Y41 N42 Q49 P53 K55 A57	L23-W27 HydrophobicContact CB-CB 4.38Å; P24-W27 PolarHBondContact O-N 3.42Å; P24-W27 VanDerWaalsContact O-N 3.12Å; W27-Y41 WeakPolarHBondContact CA-O 3.3Å; W27-Y41 VanDerWaalsContact CE3-C 3.47Å; W27-N42 HydrophobicContact CD2-CB 4.48Å; W27-N42 HydrophobicContact CE3-CB 3.99Å; W27-N42 HydrophobicContact CH2-CB 3.85Å; W27-N42 HydrophobicContact CZ2-CB 4.34Å; W27-N42 HydrophobicContact CZ3-CB 3.65Å; W27-Q49 VanDerWaalsContact CH2-CD 3.43Å; W27-Q49 HydrophobicContact CH2-CG 3.99Å; W27-Q49 HydrophobicContact CZ3-CG 3.83Å; W27-P53 HydrophobicContact CB-CG 3.78Å; W27-P53 HydrophobicContact CD2-CB 3.66Å; W27-P53 HydrophobicContact CD2-CG 3.41Å; W27-P53 VanDerWaalsContact CD2-CG 3.41Å; W27-P53 HydrophobicContact CE3-CB 4.36Å; W27-P53 HydrophobicContact CE3-CG 3.93Å; W27-P53 HydrophobicContact CG-CB 3.8Å; W27-P53 HydrophobicContact CG-CG 3.31Å; W27-P53 HydrophobicContact CZ2-CB 3.88Å; W27-P53 HydrophobicContact CZ2-CG 4.48Å; W27-P53 VanDerWaalsContact NE1-CB 3.31Å; W27-K55 PolarHBondContact NE1-O 3.17Å; W27-A57 HydrophobicContact CD2-CB 4.06Å; W27-A57 HydrophobicContact CG-CB 3.96Å; W27-A57 VanDerWaalsContact NE1-CA 3.26Å
28	E	91.8	Very high	81.6	Confident	78 Å²	78	90.9 Å²	90.9	36%	0.364	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.1	175.6	-165.8	-169.8	134.7	0	0	109.5	R30 Y40 Y41 T43	E28-R30 VanDerWaalsContact CD-NE 3.26Å; E28-R30 HydrophobicContact CG-CG 4.3Å; E28-R30 WeakPolarHBondContact OE1-CG 3.32Å; E28-R30 IonicContact OE1-CZ 3.53Å; E28-R30 IonicContact OE1-NE 2.8Å; E28-R30 PolarHBondContact OE1-NE 2.7Å; E28-R30 IonicContact OE1-NH2 3.39Å; E28-R30 PolarHBondContact OE1-NH2 2.79Å; E28-R30 IonicContact OE2-CZ 3.49Å; E28-R30 IonicContact OE2-NE 3.42Å; E28-R30 PolarHBondContact OE2-NE 2.84Å; E28-R30 IonicContact OE2-NH2 2.76Å; E28-R30 PolarHBondContact OE2-NH2 3.5Å; E28-Y40 WeakPolarHBondContact O-CA 3.49Å; E28-Y41 PolarHBondContact N-O 2.89Å; E28-Y41 PolarHBondContact O-N 3.02Å; E28-T43 HydrophobicContact CB-CG2 4.12Å
29	K	92.7	Very high	83.9	Confident	111 Å²	111	86.8 Å²	86.8	48%	0.483	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.6	171.4	175.6	-176.6	-178.7	-169.9	0	109.1	L23 A38 Y39 Y40	L23-K29 HydrophobicContact CD1-CB 3.56Å; K29-A38 HydrophobicContact CD-CB 4.41Å; K29-A38 VanDerWaalsContact CE-CB 3.4Å; K29-A38 HydrophobicContact CG-CB 4.21Å; K29-Y39 WeakPolarHBondContact CA-O 3.35Å; K29-Y40 HydrophobicContact CB-CD1 4.07Å; K29-Y40 HydrophobicContact CB-CE1 4.04Å; K29-Y40 HydrophobicContact CD-CE1 4.33Å; K29-Y40 HydrophobicContact CG-CD1 4.49Å; K29-Y40 HydrophobicContact CG-CE1 4.14Å
30	R	93	Very high	85.8	Confident	78 Å²	78	83 Å²	83	29%	0.294	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158	178.1	-67.3	-175	175.6	170.5	5.1	110.5	E28 A38 Y39 Y41	E28-R30 VanDerWaalsContact CD-NE 3.26Å; E28-R30 HydrophobicContact CG-CG 4.3Å; E28-R30 WeakPolarHBondContact OE1-CG 3.32Å; E28-R30 IonicContact OE1-CZ 3.53Å; E28-R30 IonicContact OE1-NE 2.8Å; E28-R30 PolarHBondContact OE1-NE 2.7Å; E28-R30 IonicContact OE1-NH2 3.39Å; E28-R30 PolarHBondContact OE1-NH2 2.79Å; E28-R30 IonicContact OE2-CZ 3.49Å; E28-R30 IonicContact OE2-NE 3.42Å; E28-R30 PolarHBondContact OE2-NE 2.84Å; E28-R30 IonicContact OE2-NH2 2.76Å; E28-R30 PolarHBondContact OE2-NH2 3.5Å; R30-A38 CarbonylContact O-C 3.56Å; R30-A38 WeakPolarHBondContact O-CA 3.43Å; R30-Y39 HydrophobicContact CB-CD1 4.23Å; R30-Y39 HydrophobicContact CB-CD2 4.31Å; R30-Y39 HydrophobicContact CB-CE1 3.64Å; R30-Y39 HydrophobicContact CB-CE2 3.76Å; R30-Y39 HydrophobicContact CG-CE2 4.49Å; R30-Y39 PolarHBondContact N-O 2.8Å; R30-Y39 WeakPolarHBondContact O-CD1 3.29Å; R30-Y39 PolarHBondContact O-N 2.92Å; R30-Y39 VanDerWaalsContact O-O 3.12Å; R30-Y41 VanDerWaalsContact CZ-CD1 3.46Å
31	M	92.8	Very high	87.4	Confident	117 Å²	117	79.5 Å²	79.5	58%	0.576	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.8	177.4	-66.2	-66.4	-76.5	0	0	109.2	R33 G36 A38	M31-R33 PolarHBondContact O-N 2.85Å; M31-G36 WeakPolarHBondContact CE-O 3.33Å; M31-A38 HydrophobicContact SD-CB 3.81Å
32	S	84.7	Confident	88.4	Confident	18 Å²	18	76 Å²	76	13%	0.126	39%	0.387	C	S	.	.			trans	-66.7	121.7	171.9	175.2	0	0	0	0	109.1	S34 T35 G36 K37	S32-S34 PolarHBondContact O-N 2.81Å; S32-S34 PolarHBondContact OG-OG 3.12Å; S32-S34 VanDerWaalsContact OG-OG 3.11Å; S32-T35 WeakPolarHBondContact CB-OG1 3.5Å; S32-T35 PolarHBondContact OG-N 3.15Å; S32-T35 PolarHBondContact OG-OG1 2.99Å; S32-G36 VanDerWaalsContact O-CA 3.3Å; S32-G36 WeakPolarHBondContact O-CA 3.48Å; S32-G36 PolarHBondContact O-N 3.44Å; S32-K37 WeakPolarHBondContact CB-O 3.45Å; S32-K37 PolarHBondContact N-O 2.79Å
33	R	86.6	Confident	88.6	Confident	255 Å²	255	73.2 Å²	73.2	96%	0.962	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.3	178.6	-65.1	-176.5	-177.6	174.4	0.2	112.6	M31	M31-R33 PolarHBondContact O-N 2.85Å
34	S	82.7	Confident	88.5	Confident	109 Å²	109	75.8 Å²	75.8	76%	0.762	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-35.8	-177.3	53.5	0	0	0	0	113.3	S32	S32-S34 PolarHBondContact O-N 2.81Å; S32-S34 PolarHBondContact OG-OG 3.12Å; S32-S34 VanDerWaalsContact OG-OG 3.11Å
35	T	84.4	Confident	88.2	Confident	78 Å²	78	75.7 Å²	75.7	48%	0.479	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-10.3	-174.3	59	0	0	0	0	113.7	S32 K37	S32-T35 WeakPolarHBondContact CB-OG1 3.5Å; S32-T35 PolarHBondContact OG-N 3.15Å; S32-T35 PolarHBondContact OG-OG1 2.99Å; T35-K37 PolarHBondContact O-N 2.87Å; T35-K37 PolarHBondContact OG1-N 2.88Å
36	G	88.9	Confident	88.1	Confident	50 Å²	50	74.4 Å²	74.4	52%	0.515	37%	0.37	S	S	.	.			trans	64.5	2.6	-171.5	0	0	0	0	0	113.9	M31 S32	M31-G36 WeakPolarHBondContact CE-O 3.33Å; S32-G36 VanDerWaalsContact O-CA 3.3Å; S32-G36 WeakPolarHBondContact O-CA 3.48Å; S32-G36 PolarHBondContact O-N 3.44Å
37	K	87.9	Confident	88	Confident	142 Å²	142	79.1 Å²	79.1	62%	0.617	39%	0.386	S	S	*	.			trans	-84.9	141.4	-178.7	-66.3	-176.8	179.9	-177.9	0	110.5	S32 T35 W50	S32-K37 WeakPolarHBondContact CB-O 3.45Å; S32-K37 PolarHBondContact N-O 2.79Å; T35-K37 PolarHBondContact O-N 2.87Å; T35-K37 PolarHBondContact OG1-N 2.88Å; K37-W50 HydrophobicContact CB-CE3 4.39Å; K37-W50 HydrophobicContact CB-CZ3 3.71Å
38	A	89.8	Confident	87.9	Confident	31 Å²	31	81 Å²	81	26%	0.256	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.6	171.6	0	0	0	0	0	110.7	K29 R30 M31	K29-A38 HydrophobicContact CD-CB 4.41Å; K29-A38 VanDerWaalsContact CE-CB 3.4Å; K29-A38 HydrophobicContact CG-CB 4.21Å; R30-A38 CarbonylContact O-C 3.56Å; R30-A38 WeakPolarHBondContact O-CA 3.43Å; M31-A38 HydrophobicContact SD-CB 3.81Å
39	Y	90.9	Very high	87.9	Confident	52 Å²	52	80.6 Å²	80.6	20%	0.204	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160.9	168.2	67.9	-85.8	0	0	0	109.6	K29 R30	K29-Y39 WeakPolarHBondContact CA-O 3.35Å; R30-Y39 HydrophobicContact CB-CD1 4.23Å; R30-Y39 HydrophobicContact CB-CD2 4.31Å; R30-Y39 HydrophobicContact CB-CE1 3.64Å; R30-Y39 HydrophobicContact CB-CE2 3.76Å; R30-Y39 HydrophobicContact CG-CE2 4.49Å; R30-Y39 PolarHBondContact N-O 2.8Å; R30-Y39 WeakPolarHBondContact O-CD1 3.29Å; R30-Y39 PolarHBondContact O-N 2.92Å; R30-Y39 VanDerWaalsContact O-O 3.12Å
40	Y	92.2	Very high	87.6	Confident	21 Å²	21	82.6 Å²	82.6	8%	0.082	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.4	-179.7	-56.4	-84.3	0	0	0	109.2	L23 E28 K29 S48 Q49 T51 R52 P53	L23-Y40 HydrophobicContact CD1-CD1 4.07Å; L23-Y40 HydrophobicContact CD1-CE1 4.16Å; L23-Y40 HydrophobicContact CD2-CD1 3.53Å; L23-Y40 HydrophobicContact CD2-CE1 3.49Å; L23-Y40 VanDerWaalsContact CD2-CE1 3.49Å; L23-Y40 HydrophobicContact CG-CD1 4.47Å; L23-Y40 HydrophobicContact CG-CE1 4.4Å; E28-Y40 WeakPolarHBondContact O-CA 3.49Å; K29-Y40 HydrophobicContact CB-CD1 4.07Å; K29-Y40 HydrophobicContact CB-CE1 4.04Å; K29-Y40 HydrophobicContact CD-CE1 4.33Å; K29-Y40 HydrophobicContact CG-CD1 4.49Å; K29-Y40 HydrophobicContact CG-CE1 4.14Å; Y40-S48 CarbonylContact O-C 3.55Å; Y40-S48 VanDerWaalsContact O-CA 3.29Å; Y40-S48 WeakPolarHBondContact O-CA 3.32Å; Y40-Q49 PolarHBondContact N-O 3.49Å; Y40-Q49 PolarHBondContact O-N 3.32Å; Y40-T51 WeakPolarHBondContact CD2-O 3.33Å; Y40-R52 HydrophobicContact CD2-CB 4.38Å; Y40-R52 HydrophobicContact CE1-CB 4.27Å; Y40-R52 HydrophobicContact CE1-CG 3.98Å; Y40-R52 HydrophobicContact CE2-CB 3.68Å; Y40-R52 HydrophobicContact CE2-CG 4.31Å; Y40-R52 PolarHBondContact OH-NE 2.86Å; Y40-R52 VanDerWaalsContact OH-NE 3.12Å; Y40-P53 HydrophobicContact CD1-CG 4.4Å; Y40-P53 HydrophobicContact CG-CG 4.34Å
41	Y	89.5	Confident	87.4	Confident	33 Å²	33	84.1 Å²	84.1	13%	0.129	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.6	-173.1	177.4	-96.5	0	0	0	109.7	W27 E28 R30 T43 H46	W27-Y41 WeakPolarHBondContact CA-O 3.3Å; W27-Y41 VanDerWaalsContact CE3-C 3.47Å; E28-Y41 PolarHBondContact N-O 2.89Å; E28-Y41 PolarHBondContact O-N 3.02Å; R30-Y41 VanDerWaalsContact CZ-CD1 3.46Å; Y41-T43 HydrophobicContact CD1-CG2 4.33Å; Y41-T43 PolarHBondContact O-N 3.12Å; Y41-H46 HydrophobicContact CE2-CB 4.14Å; Y41-H46 VanDerWaalsContact CE2-O 3.3Å; Y41-H46 WeakPolarHBondContact CE2-O 3.34Å; Y41-H46 AromaticContact CZ-ND1 3.91Å; Y41-H46 WeakPolarHBondContact OH-CA 3.46Å; Y41-H46 WeakPolarHBondContact OH-CB 3.35Å; Y41-H46 VanDerWaalsContact OH-CG 3.26Å; Y41-H46 PolarHBondContact OH-ND1 3.31Å
42	N	89	Confident	87	Confident	10 Å²	10	83.9 Å²	83.9	5%	0.053	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.2	174	-178.7	-36.6	0	0	0	108.5	W27 Y44 T45 H46 K47 A57 E58	W27-N42 HydrophobicContact CD2-CB 4.48Å; W27-N42 HydrophobicContact CE3-CB 3.99Å; W27-N42 HydrophobicContact CH2-CB 3.85Å; W27-N42 HydrophobicContact CZ2-CB 4.34Å; W27-N42 HydrophobicContact CZ3-CB 3.65Å; N42-Y44 PolarHBondContact O-N 2.92Å; N42-Y44 WeakPolarHBondContact OD1-CA 3.11Å; N42-Y44 WeakPolarHBondContact OD1-CB 3.43Å; N42-Y44 PolarHBondContact OD1-N 3Å; N42-T45 VanDerWaalsContact CB-OG1 3.29Å; N42-T45 WeakPolarHBondContact CB-OG1 3.42Å; N42-T45 PolarHBondContact ND2-OG1 3.03Å; N42-T45 PolarHBondContact O-N 2.74Å; N42-T45 PolarHBondContact OD1-N 3.42Å; N42-H46 WeakPolarHBondContact O-CA 3.42Å; N42-H46 PolarHBondContact O-N 3.05Å; N42-K47 PolarHBondContact N-O 2.77Å; N42-A57 HydrophobicContact CB-CB 4.48Å; N42-E58 PolarHBondContact ND2-O 2.63Å
43	T	86.7	Confident	86.9	Confident	57 Å²	57	83.4 Å²	83.4	35%	0.35	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18	-176.3	60.6	0	0	0	0	113.5	G26 E28 Y41	G26-T43 WeakPolarHBondContact CA-OG1 3.06Å; G26-T43 PolarHBondContact O-N 3.36Å; G26-T43 PolarHBondContact O-OG1 3.15Å; E28-T43 HydrophobicContact CB-CG2 4.12Å; Y41-T43 HydrophobicContact CD1-CG2 4.33Å; Y41-T43 PolarHBondContact O-N 3.12Å
44	Y	81.1	Confident	86.8	Confident	108 Å²	108	77.7 Å²	77.7	42%	0.424	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-36.6	178.1	-58	-66.9	0	0	0	112.3	N42 A57 P59	N42-Y44 PolarHBondContact O-N 2.92Å; N42-Y44 WeakPolarHBondContact OD1-CA 3.11Å; N42-Y44 WeakPolarHBondContact OD1-CB 3.43Å; N42-Y44 PolarHBondContact OD1-N 3Å; Y44-A57 HydrophobicContact CD2-CB 3.82Å; Y44-A57 VanDerWaalsContact CD2-O 3.23Å; Y44-A57 WeakPolarHBondContact CD2-O 3.23Å; Y44-A57 HydrophobicContact CE2-CB 4.1Å; Y44-A57 WeakPolarHBondContact CE2-O 3.11Å; Y44-P59 HydrophobicContact CG-CB 4.27Å
45	T	80.7	Confident	86.8	Confident	26 Å²	26	79.9 Å²	79.9	16%	0.16	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-9.6	-170.7	72.1	0	0	0	0	113.8	N42 K47 E60	N42-T45 VanDerWaalsContact CB-OG1 3.29Å; N42-T45 WeakPolarHBondContact CB-OG1 3.42Å; N42-T45 PolarHBondContact ND2-OG1 3.03Å; N42-T45 PolarHBondContact O-N 2.74Å; N42-T45 PolarHBondContact OD1-N 3.42Å; T45-K47 PolarHBondContact O-N 3.09Å; T45-K47 VanDerWaalsContact O-N 3.15Å; T45-K47 PolarHBondContact OG1-N 2.96Å; T45-E60 HydrophobicContact CG2-CB 3.35Å; T45-E60 HydrophobicContact CG2-CG 3.63Å
46	H	85	Confident	86.9	Confident	133 Å²	133	79.8 Å²	79.8	62%	0.616	41%	0.405	S	S	*	.			trans	61.9	14.8	-176	-53.3	-101.9	0	0	0	114.2	Y41 N42	Y41-H46 HydrophobicContact CE2-CB 4.14Å; Y41-H46 VanDerWaalsContact CE2-O 3.3Å; Y41-H46 WeakPolarHBondContact CE2-O 3.34Å; Y41-H46 AromaticContact CZ-ND1 3.91Å; Y41-H46 WeakPolarHBondContact OH-CA 3.46Å; Y41-H46 WeakPolarHBondContact OH-CB 3.35Å; Y41-H46 VanDerWaalsContact OH-CG 3.26Å; Y41-H46 PolarHBondContact OH-ND1 3.31Å; N42-H46 WeakPolarHBondContact O-CA 3.42Å; N42-H46 PolarHBondContact O-N 3.05Å
47	K	85.6	Confident	86.3	Confident	114 Å²	114	77.7 Å²	77.7	50%	0.496	38%	0.383	S	S	.	.			trans	-87.9	143	176.8	-63.3	-165.2	-178.7	-179.9	0	112	N42 T45 E60	N42-K47 PolarHBondContact N-O 2.77Å; T45-K47 PolarHBondContact O-N 3.09Å; T45-K47 VanDerWaalsContact O-N 3.15Å; T45-K47 PolarHBondContact OG1-N 2.96Å; K47-E60 WeakPolarHBondContact CD-OE1 2.96Å; K47-E60 WeakPolarHBondContact CE-OE1 3.12Å; K47-E60 WeakPolarHBondContact CE-OE2 3.29Å; K47-E60 VanDerWaalsContact NZ-CD 3.34Å; K47-E60 IonicContact NZ-OE1 2.63Å; K47-E60 PolarHBondContact NZ-OE1 2.77Å; K47-E60 IonicContact NZ-OE2 3.28Å; K47-E60 PolarHBondContact NZ-OE2 3.18Å
48	S	89.9	Confident	85.7	Confident	79 Å²	79	77.1 Å²	77.1	55%	0.552	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.9	175.9	54.9	0	0	0	0	111.9	Y40	Y40-S48 CarbonylContact O-C 3.55Å; Y40-S48 VanDerWaalsContact O-CA 3.29Å; Y40-S48 WeakPolarHBondContact O-CA 3.32Å
49	Q	91.5	Very high	84.6	Confident	70 Å²	70	79.6 Å²	79.6	33%	0.327	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.8	170.6	63.3	-178.7	32.1	0	0	111.1	W27 Y40 T51	W27-Q49 VanDerWaalsContact CH2-CD 3.43Å; W27-Q49 HydrophobicContact CH2-CG 3.99Å; W27-Q49 HydrophobicContact CZ3-CG 3.83Å; Y40-Q49 PolarHBondContact N-O 3.49Å; Y40-Q49 PolarHBondContact O-N 3.32Å; Q49-T51 WeakPolarHBondContact CG-O 3.42Å; Q49-T51 PolarHBondContact NE2-O 2.86Å
50	W	87.6	Confident	82.9	Confident	154 Å²	154	81.2 Å²	81.2	58%	0.583	41%	0.405	S	S	*	.	S	Bend	trans	-83.8	-26.6	179.3	-61.6	104	0	0	0	112.5	K37	K37-W50 HydrophobicContact CB-CE3 4.39Å; K37-W50 HydrophobicContact CB-CZ3 3.71Å
51	T	87	Confident	80.9	Confident	110 Å²	110	83.8 Å²	83.8	68%	0.675	43%	0.431	S	S	*	.	S	Bend	trans	-81.2	134.9	179.3	-48.2	0	0	0	0	111.1	Y40 Q49	Y40-T51 WeakPolarHBondContact CD2-O 3.33Å; Q49-T51 WeakPolarHBondContact CG-O 3.42Å; Q49-T51 PolarHBondContact NE2-O 2.86Å
52	R	85.7	Confident	78.9	Confident	111 Å²	111	85.7 Å²	85.7	42%	0.419	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-60.6	125.4	176.6	-176.1	179	-80.3	-171.7	-0.9	110	D19 L23 Y40	D19-R52 PolarHBondContact O-NH1 3.37Å; D19-R52 VanDerWaalsContact O-NH1 3.15Å; L23-R52 HydrophobicContact CD2-CG 4.08Å; Y40-R52 HydrophobicContact CD2-CB 4.38Å; Y40-R52 HydrophobicContact CE1-CB 4.27Å; Y40-R52 HydrophobicContact CE1-CG 3.98Å; Y40-R52 HydrophobicContact CE2-CB 3.68Å; Y40-R52 HydrophobicContact CE2-CG 4.31Å; Y40-R52 PolarHBondContact OH-NE 2.86Å; Y40-R52 VanDerWaalsContact OH-NE 3.12Å
53	P	82.9	Confident	76.9	Confident	9 Å²	9	91 Å²	91	6%	0.058	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-70.1	135.4	174.9	28.2	-33	0	0	0	110.3	L23 P24 W27 Y40	L23-P53 HydrophobicContact CD2-CG 4.1Å; P24-P53 WeakPolarHBondContact CD-O 3.37Å; P24-P53 WeakPolarHBondContact CG-O 3.43Å; W27-P53 HydrophobicContact CB-CG 3.78Å; W27-P53 HydrophobicContact CD2-CB 3.66Å; W27-P53 HydrophobicContact CD2-CG 3.41Å; W27-P53 VanDerWaalsContact CD2-CG 3.41Å; W27-P53 HydrophobicContact CE3-CB 4.36Å; W27-P53 HydrophobicContact CE3-CG 3.93Å; W27-P53 HydrophobicContact CG-CB 3.8Å; W27-P53 HydrophobicContact CG-CG 3.31Å; W27-P53 HydrophobicContact CZ2-CB 3.88Å; W27-P53 HydrophobicContact CZ2-CG 4.48Å; W27-P53 VanDerWaalsContact NE1-CB 3.31Å; Y40-P53 HydrophobicContact CD1-CG 4.4Å; Y40-P53 HydrophobicContact CG-CG 4.34Å
54	V	84.5	Confident	74.9	Confident	135 Å²	135	96.5 Å²	96.5	82%	0.818	50%	0.502	S	S	*	.	S	Bend	trans	-98.5	-20.9	173.3	-68.1	0	0	0	0	112.5
55	K	83.1	Confident	73.4	Confident	154 Å²	154	94.6 Å²	94.6	67%	0.67	51%	0.509	S	S	*	.	S	Bend	trans	-106.2	150	178.6	-67.2	179.1	-175.7	177.6	0	110.6	P24 W27	P24-K55 WeakPolarHBondContact CB-O 3.44Å; W27-K55 PolarHBondContact NE1-O 3.17Å
56	P	84.6	Confident	71.9	Confident	77 Å²	77	98.5 Å²	98.5	50%	0.5	54%	0.537	S	S	.	.			trans	-46.2	145.7	170.2	-28.3	36.4	0	0	0	111.5	P24 K25 E58	P24-P56 VanDerWaalsContact CB-CA 3.45Å; P24-P56 HydrophobicContact CB-CB 4.45Å; P24-P56 HydrophobicContact CB-CG 4.34Å; P24-P56 VanDerWaalsContact CB-N 3.33Å; K25-P56 CarbonylContact O-C 3.5Å; P56-E58 PolarHBondContact O-N 3.28Å
57	A	78.1	Confident	70.5	Confident	6 Å²	6	99.3 Å²	99.3	5%	0.05	54%	0.541	C	S	.	.			trans	-65.2	107.3	170.2	0	0	0	0	0	106.3	K25 G26 W27 N42 Y44	K25-A57 PolarHBondContact O-N 3.24Å; G26-A57 WeakPolarHBondContact O-CB 3.3Å; W27-A57 HydrophobicContact CD2-CB 4.06Å; W27-A57 HydrophobicContact CG-CB 3.96Å; W27-A57 VanDerWaalsContact NE1-CA 3.26Å; N42-A57 HydrophobicContact CB-CB 4.48Å; Y44-A57 HydrophobicContact CD2-CB 3.82Å; Y44-A57 VanDerWaalsContact CD2-O 3.23Å; Y44-A57 WeakPolarHBondContact CD2-O 3.23Å; Y44-A57 HydrophobicContact CE2-CB 4.1Å; Y44-A57 WeakPolarHBondContact CE2-O 3.11Å
58	E	73.9	Confident	69.7	Low	129 Å²	129	98.2 Å²	98.2	60%	0.603	55%	0.554	S	S	*	*			trans	-68.7	135.8	164.1	-73.8	164.2	174.8	0	0	105.8	N42 P56 E60	N42-E58 PolarHBondContact ND2-O 2.63Å; P56-E58 PolarHBondContact O-N 3.28Å; E58-E60 PolarHBondContact O-N 2.54Å; E58-E60 VanDerWaalsContact O-N 3.09Å
59	P	66.5	Low	69.1	Low	83 Å²	83	100.3 Å²	100.3	54%	0.539	56%	0.555	S	S	.	*	S	Bend	trans	-48.4	127.2	151.4	26.7	-31	0	0	0	103.4	Y44 A61	Y44-P59 HydrophobicContact CG-CB 4.27Å; P59-A61 PolarHBondContact O-N 2.83Å
60	E	55.9	Low	69	Low	87 Å²	87	99 Å²	99	41%	0.407	55%	0.552	S	S	.	*			trans	-40.3	120	-172.9	-123.8	175.3	-175.9	0	0	103.8	T45 K47 E58 V62	T45-E60 HydrophobicContact CG2-CB 3.35Å; T45-E60 HydrophobicContact CG2-CG 3.63Å; K47-E60 WeakPolarHBondContact CD-OE1 2.96Å; K47-E60 WeakPolarHBondContact CE-OE1 3.12Å; K47-E60 WeakPolarHBondContact CE-OE2 3.29Å; K47-E60 VanDerWaalsContact NZ-CD 3.34Å; K47-E60 IonicContact NZ-OE1 2.63Å; K47-E60 PolarHBondContact NZ-OE1 2.77Å; K47-E60 IonicContact NZ-OE2 3.28Å; K47-E60 PolarHBondContact NZ-OE2 3.18Å; E58-E60 PolarHBondContact O-N 2.54Å; E58-E60 VanDerWaalsContact O-N 3.09Å; E60-V62 PolarHBondContact O-N 3.02Å
61	A	49.4	Very low	69.3	Low	75 Å²	75	96.4 Å²	96.4	62%	0.62	56%	0.558	S	S	*	*			trans	-59.9	82.5	164.5	0	0	0	0	0	101.5	P59 P63	P59-A61 PolarHBondContact O-N 2.83Å; A61-P63 VanDerWaalsContact C-N 3.27Å; A61-P63 VanDerWaalsContact O-CD 3.3Å; A61-P63 WeakPolarHBondContact O-CD 3.3Å
62	V	48.6	Very low	69.8	Low	73 Å²	73	96.4 Å²	96.4	44%	0.442	55%	0.548	S	S	.	.			trans	-46.2	111.1	164.5	-77.3	0	0	0	0	98.6	E60 Q64	E60-V62 PolarHBondContact O-N 3.02Å; V62-Q64 VanDerWaalsContact C-N 3.26Å; V62-Q64 WeakPolarHBondContact O-CA 3.14Å; V62-Q64 PolarHBondContact O-N 2.9Å
63	P	47.7	Very low	70.4	Confident	120 Å²	120	91.1 Å²	91.1	78%	0.779	53%	0.528	S	S	*	.	S	Bend	trans	-52.1	106.3	-174.2	18.6	-29.9	0	0	0	104.2	A61 A65	A61-P63 VanDerWaalsContact C-N 3.27Å; A61-P63 VanDerWaalsContact O-CD 3.3Å; A61-P63 WeakPolarHBondContact O-CD 3.3Å; P63-A65 WeakPolarHBondContact O-CB 3.13Å; P63-A65 PolarHBondContact O-N 3.31Å
64	Q	44.7	Very low	71.2	Confident	173 Å²	173	93.4 Å²	93.4	81%	0.808	54%	0.537	S	S	*	.	S	Bend	trans	-16.3	90.2	-150.5	-81.7	167.4	-107.6	0	0	114.1	V62	V62-Q64 VanDerWaalsContact C-N 3.26Å; V62-Q64 WeakPolarHBondContact O-CA 3.14Å; V62-Q64 PolarHBondContact O-N 2.9Å
65	A	48	Very low	71.9	Confident	69 Å²	69	87 Å²	87	57%	0.57	50%	0.498	S	S	*	.			trans	-147.9	26.6	-175.7	0	0	0	0	0	114.4	P63	P63-A65 WeakPolarHBondContact O-CB 3.13Å; P63-A65 PolarHBondContact O-N 3.31Å
66	S	50.9	Low	72.6	Confident	107 Å²	107	80.5 Å²	80.5	75%	0.748	47%	0.472	S	S	*	.			trans	-98.1	-1.4	152.5	66	0	0	0	0	112.7	A68	S66-A68 PolarHBondContact O-N 2.65Å
67	E	54.7	Low	73.3	Confident	151 Å²	151	77.2 Å²	77.2	71%	0.706	45%	0.45	S	S	*	.	S	Bend	trans	-61.3	109.3	152.1	-98.6	-176.4	147.5	0	0	105.7	E69	E67-E69 PolarHBondContact O-N 3.07Å
68	A	68.8	Low	74.3	Confident	91 Å²	91	76.9 Å²	76.9	75%	0.752	45%	0.448	S	S	*	.			trans	-48	123.1	173.2	0	0	0	0	0	107.8	S66	S66-A68 PolarHBondContact O-N 2.65Å
69	E	76.7	Confident	75.5	Confident	123 Å²	123	71 Å²	71	58%	0.575	42%	0.42	S	S	*	.			trans	-39.9	128	174.7	-81.1	-87.8	129.2	0	0	109.1	E67 S71 R145	E67-E69 PolarHBondContact O-N 3.07Å; E69-S71 PolarHBondContact O-N 3.28Å; E69-R145 IonicContact OE2-NH2 2.82Å; E69-R145 PolarHBondContact OE2-NH2 2.87Å
70	P	89.7	Confident	77	Confident	42 Å²	42	67.2 Å²	67.2	27%	0.273	40%	0.396	S	S	.	.			trans	-58.3	134.1	-172.8	26.1	-35.9	0	0	0	109	K72 V73 F157	P70-K72 PolarHBondContact O-N 2.82Å; P70-V73 HydrophobicContact CB-CG1 4.44Å; P70-V73 HydrophobicContact CG-CG1 3.83Å; P70-F157 VanDerWaalsContact O-CE1 3.3Å; P70-F157 WeakPolarHBondContact O-CE1 3.18Å
71	S	94.4	Very high	79.1	Confident	100 Å²	100	63.4 Å²	63.4	70%	0.699	38%	0.378	S	S	*	.	S	Bend	trans	-66.5	-21.9	179.3	61.2	0	0	0	0	112.7	E69 S144	E69-S71 PolarHBondContact O-N 3.28Å; S71-S144 WeakPolarHBondContact O-CA 3.33Å; S71-S144 WeakPolarHBondContact O-CB 3.34Å
72	K	97.9	Very high	81.4	Confident	110 Å²	110	60.2 Å²	60.2	48%	0.478	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.3	176	63.7	-176.1	-173.7	177.1	0	110.4	P70 Y142 F143	P70-K72 PolarHBondContact O-N 2.82Å; K72-Y142 HydrophobicContact CD-CD1 3.92Å; K72-Y142 HydrophobicContact CD-CG 4.21Å; K72-Y142 HydrophobicContact CG-CD1 3.92Å; K72-F143 VanDerWaalsContact CA-O 3.24Å; K72-F143 WeakPolarHBondContact CA-O 3.1Å; K72-F143 WeakPolarHBondContact CB-O 3.3Å
73	V	98.3	Very high	83.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.1	172.1	-62.1	0	0	0	0	109.5	P70 Y142 F143 A156 F157 A181	P70-V73 HydrophobicContact CB-CG1 4.44Å; P70-V73 HydrophobicContact CG-CG1 3.83Å; V73-Y142 CarbonylContact O-C 3.49Å; V73-Y142 VanDerWaalsContact O-CA 3.26Å; V73-Y142 WeakPolarHBondContact O-CA 3.35Å; V73-F143 HydrophobicContact CG2-CD2 4.46Å; V73-F143 HydrophobicContact CG2-CE1 4Å; V73-F143 HydrophobicContact CG2-CE2 3.9Å; V73-F143 HydrophobicContact CG2-CZ 3.64Å; V73-F143 PolarHBondContact N-O 2.85Å; V73-F143 PolarHBondContact O-N 2.85Å; V73-A156 HydrophobicContact CG2-CB 4.31Å; V73-F157 HydrophobicContact CG1-CD1 3.87Å; V73-F157 HydrophobicContact CG1-CE1 3.91Å; V73-F157 HydrophobicContact CG1-CG 4.2Å; V73-F157 HydrophobicContact CG1-CZ 4.26Å; V73-F157 HydrophobicContact CG2-CD2 3.94Å; V73-F157 HydrophobicContact CG2-CE1 4.45Å; V73-F157 HydrophobicContact CG2-CE2 3.73Å; V73-F157 HydrophobicContact CG2-CG 4.4Å; V73-F157 HydrophobicContact CG2-CZ 4Å; V73-A181 CarbonylContact C-O 3.51Å; V73-A181 WeakPolarHBondContact CA-O 3.26Å
74	K	98.7	Very high	86.2	Confident	57 Å²	57	62.1 Å²	62.1	25%	0.248	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.9	169	-165.7	-175.3	173.9	-177.5	0	108.6	D139 G141 Y142 T180 A181	K74-D139 VanDerWaalsContact CE-CG 3.44Å; K74-D139 WeakPolarHBondContact CE-OD1 3.48Å; K74-D139 WeakPolarHBondContact CE-OD2 3.5Å; K74-D139 IonicContact NZ-OD1 2.76Å; K74-D139 IonicContact NZ-OD2 3.89Å; K74-D139 PolarHBondContact NZ-OD2 2.88Å; K74-G141 WeakPolarHBondContact CA-O 3.37Å; K74-G141 WeakPolarHBondContact CG-O 3.38Å; K74-Y142 HydrophobicContact CB-CD1 3.81Å; K74-Y142 HydrophobicContact CB-CD2 4.37Å; K74-Y142 HydrophobicContact CB-CE1 3.76Å; K74-Y142 HydrophobicContact CB-CE2 4.32Å; K74-Y142 HydrophobicContact CB-CG 4.13Å; K74-Y142 HydrophobicContact CD-CD2 4.36Å; K74-Y142 HydrophobicContact CD-CE2 4.04Å; K74-Y142 HydrophobicContact CG-CD2 4.36Å; K74-Y142 HydrophobicContact CG-CE2 4.41Å; K74-Y142 HydrophobicContact CG-CG 4.47Å; K74-T180 VanDerWaalsContact CG-OG1 3.32Å; K74-T180 WeakPolarHBondContact CG-OG1 3.26Å; K74-T180 PolarHBondContact O-N 2.8Å; K74-T180 PolarHBondContact O-OG1 3.23Å; K74-A181 HydrophobicContact CB-CB 3.7Å; K74-A181 PolarHBondContact N-O 3.37Å; K74-A181 PolarHBondContact O-N 3.45Å
75	C	98.7	Very high	88.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.7	176.2	-55.3	0	0	0	0	112.1	L140 G141 F143 I177 L178	C75-L140 WeakPolarHBondContact O-CB 3.34Å; C75-L140 PolarHBondContact O-N 2.9Å; C75-G141 PolarHBondContact N-O 3.15Å; C75-F143 HydrophobicContact CB-CE1 4.03Å; C75-I177 HydrophobicContact CB-CG2 3.91Å; C75-L178 CarbonylContact C-O 3.55Å; C75-L178 VanDerWaalsContact CA-O 3.23Å; C75-L178 WeakPolarHBondContact CA-O 3.24Å; C75-L178 WeakPolarHBondContact CB-O 3.34Å
76	S	98.9	Very high	91.2	Very high	17 Å²	17	58.5 Å²	58.5	12%	0.119	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	154.2	159.3	-59	0	0	0	0	109.1	G138 L178	S76-G138 CarbonylContact C-O 3.54Å; S76-G138 WeakPolarHBondContact CA-O 3.41Å; S76-L178 PolarHBondContact N-O 3.38Å; S76-L178 PolarHBondContact O-N 3.15Å
77	H	98.9	Very high	93.5	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160	176.4	91.7	169.6	0	0	0	114.2	C131 G138 L140 F152 H175 L176	H77-C131 WeakPolarHBondContact NE2-CB 3.35Å; H77-C131 PolarHBondContact NE2-SG 3.23Å; H77-G138 PolarHBondContact N-O 3.5Å; H77-G138 WeakPolarHBondContact O-CA 3.22Å; H77-L140 HydrophobicContact CB-CD1 4.25Å; H77-F152 HydrophobicContact CB-CE2 3.9Å; H77-F152 HydrophobicContact CB-CZ 4Å; H77-F152 AromaticContact ND1-CE2 3.32Å; H77-F152 VanDerWaalsContact ND1-CE2 3.32Å; H77-F152 WeakPolarHBondContact ND1-CE2 3.45Å; H77-F152 AromaticContact ND1-CZ 3.83Å; H77-H175 AromaticContact CE1-CE1 3.69Å; H77-H175 AromaticContact CE1-ND1 3.44Å; H77-H175 PolarHBondContact CE1-ND1 2.63Å; H77-H175 AromaticContact ND1-CE1 3.74Å; H77-H175 AromaticContact ND1-ND1 3.1Å; H77-H175 PolarHBondContact ND1-ND1 3.22Å; H77-L176 CarbonylContact C-O 3.58Å; H77-L176 WeakPolarHBondContact CA-O 3.35Å; H77-L176 WeakPolarHBondContact CB-O 3.4Å
78	I	98.9	Very high	95.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	160.8	-62.8	151.4	0	0	0	106.2	I107 F110 I114 F121 I124 A125 H175 L176	I78-I107 HydrophobicContact CB-CD1 4.42Å; I78-I107 HydrophobicContact CG2-CD1 4.03Å; I78-F110 HydrophobicContact CG2-CD2 3.96Å; I78-F110 HydrophobicContact CG2-CE2 4.18Å; I78-I114 HydrophobicContact CD1-CD1 4.11Å; I78-F121 HydrophobicContact CD1-CD1 4.47Å; I78-F121 HydrophobicContact CD1-CD2 4.06Å; I78-F121 HydrophobicContact CD1-CE1 4.23Å; I78-F121 HydrophobicContact CD1-CE2 3.79Å; I78-F121 HydrophobicContact CD1-CG 4.37Å; I78-F121 HydrophobicContact CD1-CZ 3.87Å; I78-F121 HydrophobicContact CG1-CE1 4.05Å; I78-F121 HydrophobicContact CG1-CE2 4.28Å; I78-F121 HydrophobicContact CG1-CZ 3.84Å; I78-I124 HydrophobicContact CD1-CB 3.88Å; I78-I124 HydrophobicContact CD1-CG2 3.57Å; I78-I124 HydrophobicContact CG1-CG2 4.15Å; I78-I124 HydrophobicContact CG2-CG2 4.24Å; I78-A125 HydrophobicContact CG1-CB 3.77Å; I78-H175 CarbonylContact O-C 3.55Å; I78-H175 VanDerWaalsContact O-CA 3.25Å; I78-H175 WeakPolarHBondContact O-CA 3.39Å; I78-L176 HydrophobicContact CB-CB 4.24Å; I78-L176 HydrophobicContact CD1-CD2 4.09Å; I78-L176 PolarHBondContact N-O 2.84Å; I78-L176 PolarHBondContact O-N 3.3Å
79	L	98.9	Very high	97	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124	175.8	170.8	55.5	0	0	0	109.3	K81 S129 D130 C131 H175	L79-K81 HydrophobicContact CD2-CG 4.35Å; L79-K81 HydrophobicContact CG-CG 4.22Å; L79-S129 PolarHBondContact N-OG 3.47Å; L79-S129 CarbonylContact O-C 3.52Å; L79-S129 WeakPolarHBondContact O-CA 3.34Å; L79-D130 WeakPolarHBondContact O-CB 3.45Å; L79-D130 PolarHBondContact O-N 3.3Å; L79-C131 HydrophobicContact CB-CB 3.97Å; L79-C131 HydrophobicContact CD2-CB 4.09Å; L79-H175 VanDerWaalsContact CD1-CE1 3.46Å; L79-H175 WeakPolarHBondContact CD1-CE1 3.3Å
80	V	98.9	Very high	98	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.8	166.9	-178.8	0	0	0	0	108.6	A103 L106 I107 F110 I174	V80-A103 HydrophobicContact CB-CB 4.27Å; V80-A103 HydrophobicContact CG1-CB 3.67Å; V80-L106 HydrophobicContact CG1-CB 4.36Å; V80-L106 HydrophobicContact CG1-CD1 3.85Å; V80-L106 HydrophobicContact CG2-CB 4.3Å; V80-I107 HydrophobicContact CB-CD1 4.21Å; V80-I107 HydrophobicContact CB-CG1 4.04Å; V80-I107 HydrophobicContact CG2-CD1 3.67Å; V80-I107 HydrophobicContact CG2-CG1 3.86Å; V80-F110 HydrophobicContact CG2-CD2 4.43Å; V80-F110 HydrophobicContact CG2-CE2 3.72Å; V80-I174 PolarHBondContact N-O 2.72Å; V80-I174 PolarHBondContact O-N 3.32Å
81	K	98.9	Very high	98.4	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.03	25%	0.249	C	C	.	.			trans	-80.9	166.2	176.3	-63.6	-175.9	173.4	-165.4	0	111.4	L79 R87 S89 I96 R98 D130 S172	L79-K81 HydrophobicContact CD2-CG 4.35Å; L79-K81 HydrophobicContact CG-CG 4.22Å; K81-R87 WeakPolarHBondContact CD-O 3.36Å; K81-R87 VanDerWaalsContact NZ-CZ 3.31Å; K81-R87 PolarHBondContact NZ-O 2.82Å; K81-S89 PolarHBondContact NZ-O 3.11Å; K81-I96 HydrophobicContact CB-CD1 3.57Å; K81-I96 HydrophobicContact CB-CG2 4.28Å; K81-I96 HydrophobicContact CD-CD1 3.78Å; K81-I96 HydrophobicContact CG-CD1 4.19Å; K81-R98 WeakPolarHBondContact O-CD 3.04Å; K81-R98 WeakPolarHBondContact O-CG 3.28Å; K81-R98 PolarHBondContact O-NH1 3.16Å; K81-D130 HydrophobicContact CB-CB 4.25Å; K81-D130 HydrophobicContact CD-CB 3.8Å; K81-D130 HydrophobicContact CG-CB 3.59Å; K81-D130 PolarHBondContact N-OD2 3.08Å; K81-S172 WeakPolarHBondContact CG-O 3.41Å
82	H	98.8	Very high	98.5	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.032	23%	0.231	C	C	.	.			trans	-138.7	174.1	171.4	53.8	89.5	0	0	0	109.9	N84 S85 R98 S99 A103	H82-N84 PolarHBondContact ND1-N 2.65Å; H82-N84 PolarHBondContact O-N 3.35Å; H82-S85 PolarHBondContact CD2-OG 3.37Å; H82-S85 PolarHBondContact CE1-N 2.94Å; H82-S85 PolarHBondContact N-OG 3.23Å; H82-S85 PolarHBondContact ND1-N 2.68Å; H82-S85 PolarHBondContact NE2-OG 3.03Å; H82-S85 WeakPolarHBondContact O-CB 3.47Å; H82-S85 PolarHBondContact O-N 3.15Å; H82-S85 PolarHBondContact O-OG 3.1Å; H82-R98 WeakPolarHBondContact CA-O 3.47Å; H82-R98 HydrophobicContact CB-CG 4.29Å; H82-R98 WeakPolarHBondContact CB-O 3.45Å; H82-S99 WeakPolarHBondContact CB-O 3.46Å; H82-A103 HydrophobicContact CB-CB 4.12Å
83	K	98.6	Very high	98.5	Very high	118 Å²	118	49.7 Å²	49.7	51%	0.513	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22	-178.3	63.8	179.7	-176.6	-178	0	115.3	I96 R98	K83-I96 WeakPolarHBondContact CA-O 3.37Å; K83-R98 PolarHBondContact N-O 3.5Å
84	N	98.7	Very high	98.5	Very high	116 Å²	116	53.9 Å²	53.9	62%	0.62	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	4	179.2	-52.6	-27.6	0	0	0	113.2	H82	H82-N84 PolarHBondContact ND1-N 2.65Å; H82-N84 PolarHBondContact O-N 3.35Å
85	S	98.7	Very high	98.5	Very high	5 Å²	5	56 Å²	56	4%	0.035	28%	0.276	C	S	.	.	S	Bend	trans	-65	145.2	173.4	-58.9	0	0	0	0	109.4	H82 R87 P88 D171 S172 G173	H82-S85 PolarHBondContact CD2-OG 3.37Å; H82-S85 PolarHBondContact CE1-N 2.94Å; H82-S85 PolarHBondContact N-OG 3.23Å; H82-S85 PolarHBondContact ND1-N 2.68Å; H82-S85 PolarHBondContact NE2-OG 3.03Å; H82-S85 WeakPolarHBondContact O-CB 3.47Å; H82-S85 PolarHBondContact O-N 3.15Å; H82-S85 PolarHBondContact O-OG 3.1Å; S85-R87 PolarHBondContact O-N 2.75Å; S85-P88 VanDerWaalsContact O-CD 3.26Å; S85-P88 WeakPolarHBondContact O-CD 3.43Å; S85-D171 CarbonylContact C-O 3.58Å; S85-D171 WeakPolarHBondContact CA-O 3.34Å; S85-S172 WeakPolarHBondContact CB-O 3.41Å; S85-S172 PolarHBondContact OG-O 2.91Å; S85-G173 WeakPolarHBondContact OG-CA 3.22Å
86	R	98.4	Very high	98.5	Very high	161 Å²	161	56.2 Å²	56.2	61%	0.608	28%	0.277	S	S	*	.	S	Bend	trans	-46	-33.7	-178.6	-176.4	174	70.7	-129.5	-0	113.7	D171	R86-D171 HydrophobicContact CB-CB 4.16Å; R86-D171 WeakPolarHBondContact CB-O 3.49Å; R86-D171 PolarHBondContact N-O 3.44Å; R86-D171 IonicContact NH1-OD2 3.73Å
87	R	98.2	Very high	98.5	Very high	132 Å²	132	60.4 Å²	60.4	50%	0.498	30%	0.302	S	S	.	.	S	Bend	trans	-134.2	92.8	171.6	-175.3	173.9	60.1	76.6	-3.5	109.4	K81 S85 S89	K81-R87 WeakPolarHBondContact CD-O 3.36Å; K81-R87 VanDerWaalsContact NZ-CZ 3.31Å; K81-R87 PolarHBondContact NZ-O 2.82Å; S85-R87 PolarHBondContact O-N 2.75Å; R87-S89 PolarHBondContact NH1-O 3.43Å; R87-S89 PolarHBondContact NH1-OG 3.15Å; R87-S89 PolarHBondContact O-N 2.88Å
88	P	98.3	Very high	98.4	Very high	51 Å²	51	62.2 Å²	62.2	33%	0.331	31%	0.308	S	S	.	.			trans	-81.2	52.6	-174.5	35.4	-34.8	0	0	0	111.5	S85 I96	S85-P88 VanDerWaalsContact O-CD 3.26Å; S85-P88 WeakPolarHBondContact O-CD 3.43Å; P88-I96 HydrophobicContact CB-CB 4.44Å; P88-I96 WeakPolarHBondContact O-CB 3.25Å; P88-I96 PolarHBondContact O-N 2.89Å
89	S	98.6	Very high	98.4	Very high	37 Å²	37	63.7 Å²	63.7	26%	0.259	32%	0.319	S	S	.	.			trans	-149.7	153.5	175.2	64.3	0	0	0	0	109	K81 R87 Q93 A94	K81-S89 PolarHBondContact NZ-O 3.11Å; R87-S89 PolarHBondContact NH1-O 3.43Å; R87-S89 PolarHBondContact NH1-OG 3.15Å; R87-S89 PolarHBondContact O-N 2.88Å; S89-Q93 CarbonylContact C-O 3.56Å; S89-Q93 WeakPolarHBondContact CA-O 3.26Å; S89-A94 WeakPolarHBondContact CB-O 3.03Å
90	S	98.3	Very high	98.4	Very high	16 Å²	16	67.3 Å²	67.3	11%	0.112	33%	0.334	C	S	.	.			trans	-147	178.5	176.7	71.4	0	0	0	0	110.3	R92 Q93 D130	S90-R92 PolarHBondContact O-N 2.98Å; S90-R92 WeakPolarHBondContact OG-CB 3.42Å; S90-R92 PolarHBondContact OG-N 3.46Å; S90-R92 VanDerWaalsContact OG-N 3.13Å; S90-Q93 PolarHBondContact N-O 2.81Å; S90-Q93 CarbonylContact O-C 3.55Å; S90-Q93 PolarHBondContact O-N 2.97Å; S90-Q93 PolarHBondContact OG-N 2.87Å; S90-D130 WeakPolarHBondContact CB-O 3.33Å; S90-D130 VanDerWaalsContact CB-OD1 3.31Å; S90-D130 WeakPolarHBondContact CB-OD1 3.37Å; S90-D130 PolarHBondContact OG-OD1 2.96Å
91	W	98	Very high	98.4	Very high	145 Å²	145	73.6 Å²	73.6	55%	0.549	36%	0.364	S	S	.	.	S	Bend	trans	-64	-20.7	170.8	66.2	-91.5	0	0	0	112.2	E126 S129 C131 A134	W91-E126 VanDerWaalsContact CH2-O 3.31Å; W91-E126 WeakPolarHBondContact CH2-O 3.35Å; W91-E126 WeakPolarHBondContact CZ2-O 3.36Å; W91-S129 WeakPolarHBondContact CZ2-O 3.43Å; W91-S129 PolarHBondContact NE1-O 3.29Å; W91-C131 PolarHBondContact NE1-O 3.01Å; W91-A134 HydrophobicContact CH2-CB 4.47Å; W91-A134 HydrophobicContact CZ2-CB 3.39Å
92	R	97.4	Very high	98.4	Very high	89 Å²	89	77 Å²	77	34%	0.336	38%	0.382	S	S	.	.	S	Bend	trans	-85.8	-35.3	178	-56.3	-177.2	65.5	-119.9	4.2	112.7	S90 T127 Q128 S129	S90-R92 PolarHBondContact O-N 2.98Å; S90-R92 WeakPolarHBondContact OG-CB 3.42Å; S90-R92 PolarHBondContact OG-N 3.46Å; S90-R92 VanDerWaalsContact OG-N 3.13Å; R92-T127 PolarHBondContact NE-O 2.89Å; R92-T127 PolarHBondContact NH2-O 3.11Å; R92-Q128 PolarHBondContact NH1-O 3.39Å; R92-Q128 VanDerWaalsContact NH1-O 3.12Å; R92-S129 WeakPolarHBondContact CD-O 3.4Å
93	Q	97.8	Very high	98.4	Very high	69 Å²	69	76.7 Å²	76.7	32%	0.322	38%	0.38	S	S	.	.			trans	-146.8	118.8	-170.2	-170.1	174.5	20.6	0	0	110.9	S89 S90 V95 I96	S89-Q93 CarbonylContact C-O 3.56Å; S89-Q93 WeakPolarHBondContact CA-O 3.26Å; S90-Q93 PolarHBondContact N-O 2.81Å; S90-Q93 CarbonylContact O-C 3.55Å; S90-Q93 PolarHBondContact O-N 2.97Å; S90-Q93 PolarHBondContact OG-N 2.87Å; Q93-V95 VanDerWaalsContact C-N 3.31Å; Q93-V95 VanDerWaalsContact CD-O 3.25Å; Q93-V95 VanDerWaalsContact CG-O 3.26Å; Q93-V95 WeakPolarHBondContact CG-O 3.47Å; Q93-V95 PolarHBondContact NE2-O 2.78Å; Q93-V95 VanDerWaalsContact NE2-O 3.15Å; Q93-V95 PolarHBondContact O-N 3.34Å; Q93-I96 HydrophobicContact CB-CG1 3.96Å; Q93-I96 HydrophobicContact CG-CG1 4.09Å
94	A	98.2	Very high	98.4	Very high	87 Å²	87	72.4 Å²	72.4	72%	0.719	36%	0.364	S	S	*	.	S	Bend	trans	-62.4	-36.5	-179	0	0	0	0	0	113	S89	S89-A94 WeakPolarHBondContact CB-O 3.03Å
95	V	98.3	Very high	98.5	Very high	103 Å²	103	70.4 Å²	70.4	62%	0.624	35%	0.353	S	S	*	.	S	Bend	trans	-134.6	116.2	177.5	-176.9	0	0	0	0	109.7	Q93 T97	Q93-V95 VanDerWaalsContact C-N 3.31Å; Q93-V95 VanDerWaalsContact CD-O 3.25Å; Q93-V95 VanDerWaalsContact CG-O 3.26Å; Q93-V95 WeakPolarHBondContact CG-O 3.47Å; Q93-V95 PolarHBondContact NE2-O 2.78Å; Q93-V95 VanDerWaalsContact NE2-O 3.15Å; Q93-V95 PolarHBondContact O-N 3.34Å; V95-T97 HydrophobicContact CG1-CG2 4.22Å
96	I	98.6	Very high	98.5	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.021	37%	0.369	C	S	.	.			trans	-97.8	115	-178	-61	177.6	0	0	0	109.3	K81 K83 P88 Q93 R98	K81-I96 HydrophobicContact CB-CD1 3.57Å; K81-I96 HydrophobicContact CB-CG2 4.28Å; K81-I96 HydrophobicContact CD-CD1 3.78Å; K81-I96 HydrophobicContact CG-CD1 4.19Å; K83-I96 WeakPolarHBondContact CA-O 3.37Å; P88-I96 HydrophobicContact CB-CB 4.44Å; P88-I96 WeakPolarHBondContact O-CB 3.25Å; P88-I96 PolarHBondContact O-N 2.89Å; Q93-I96 HydrophobicContact CB-CG1 3.96Å; Q93-I96 HydrophobicContact CG-CG1 4.09Å; I96-R98 HydrophobicContact CG2-CG 3.99Å
97	T	98.3	Very high	98.5	Very high	105 Å²	105	65.7 Å²	65.7	64%	0.644	34%	0.34	S	S	*	.			trans	-106.4	-12.2	-175.3	54.8	0	0	0	0	114.3	V95	V95-T97 HydrophobicContact CG1-CG2 4.22Å
98	R	98.5	Very high	98.5	Very high	45 Å²	45	64.4 Å²	64.4	17%	0.17	34%	0.338	C	S	.	.			trans	-58.3	150.2	-177	76.2	-172.5	77.7	106.3	-3.8	112.2	K81 H82 K83 I96 D102 D130	K81-R98 WeakPolarHBondContact O-CD 3.04Å; K81-R98 WeakPolarHBondContact O-CG 3.28Å; K81-R98 PolarHBondContact O-NH1 3.16Å; H82-R98 WeakPolarHBondContact CA-O 3.47Å; H82-R98 HydrophobicContact CB-CG 4.29Å; H82-R98 WeakPolarHBondContact CB-O 3.45Å; K83-R98 PolarHBondContact N-O 3.5Å; I96-R98 HydrophobicContact CG2-CG 3.99Å; R98-D102 HydrophobicContact CB-CB 4.29Å; R98-D130 IonicContact CZ-OD2 3.76Å; R98-D130 IonicContact NH1-OD2 2.85Å; R98-D130 PolarHBondContact NH1-OD2 3.3Å; R98-D130 IonicContact NH2-OD2 3.27Å
99	S	98.8	Very high	98.5	Very high	32 Å²	32	64.6 Å²	64.6	22%	0.224	34%	0.34	C	S	.	.			trans	-73.3	164.5	178.3	76.7	0	0	0	0	111.5	H82 E101 D102 A103	H82-S99 WeakPolarHBondContact CB-O 3.46Å; S99-E101 VanDerWaalsContact C-N 3.26Å; S99-E101 PolarHBondContact O-N 2.77Å; S99-E101 PolarHBondContact OG-N 2.62Å; S99-D102 WeakPolarHBondContact CB-OD2 3.15Å; S99-D102 PolarHBondContact N-OD2 3.28Å; S99-D102 PolarHBondContact O-N 2.85Å; S99-D102 PolarHBondContact OG-N 2.75Å; S99-D102 PolarHBondContact OG-OD2 2.96Å; S99-A103 PolarHBondContact O-N 2.61Å; S99-A103 VanDerWaalsContact O-N 3.12Å
100	K	98.8	Very high	98.6	Very high	80 Å²	80	63.7 Å²	63.7	35%	0.348	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-38.5	172	177.1	-179.9	161.7	179.8	0	111	A103 V104 E169 I174	K100-A103 WeakPolarHBondContact O-CB 3.23Å; K100-A103 PolarHBondContact O-N 3.07Å; K100-V104 WeakPolarHBondContact O-CG2 3.02Å; K100-V104 PolarHBondContact O-N 2.78Å; K100-E169 WeakPolarHBondContact CE-OE1 3.46Å; K100-E169 WeakPolarHBondContact CE-OE2 3.49Å; K100-E169 IonicContact NZ-OE1 2.79Å; K100-E169 PolarHBondContact NZ-OE1 3.35Å; K100-E169 IonicContact NZ-OE2 3.72Å; K100-E169 PolarHBondContact NZ-OE2 2.93Å; K100-I174 HydrophobicContact CG-CD1 4.28Å
101	E	98.8	Very high	98.6	Very high	137 Å²	137	65 Å²	65	64%	0.64	33%	0.334	S	S	*	.	H	α-helix	trans	-63.3	-44.4	177.5	-176.7	172.2	-169.1	0	0	111.7	S99 A103 V104 N105	S99-E101 VanDerWaalsContact C-N 3.26Å; S99-E101 PolarHBondContact O-N 2.77Å; S99-E101 PolarHBondContact OG-N 2.62Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.49Å; E101-V104 WeakPolarHBondContact O-CB 3.42Å; E101-V104 PolarHBondContact O-N 2.9Å; E101-V104 VanDerWaalsContact O-N 3.14Å; E101-N105 VanDerWaalsContact O-CG 3.3Å; E101-N105 PolarHBondContact O-N 3.42Å; E101-N105 PolarHBondContact O-ND2 2.91Å
102	D	98.9	Very high	98.6	Very high	78 Å²	78	63 Å²	63	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-41.4	174.9	-58.2	-40.5	0	0	0	111.4	R98 S99 V104 N105 L106	R98-D102 HydrophobicContact CB-CB 4.29Å; S99-D102 WeakPolarHBondContact CB-OD2 3.15Å; S99-D102 PolarHBondContact N-OD2 3.28Å; S99-D102 PolarHBondContact O-N 2.85Å; S99-D102 PolarHBondContact OG-N 2.75Å; S99-D102 PolarHBondContact OG-OD2 2.96Å; D102-V104 PolarHBondContact O-N 2.68Å; D102-N105 PolarHBondContact O-N 2.85Å; D102-L106 WeakPolarHBondContact O-CB 3.38Å; D102-L106 WeakPolarHBondContact O-CG 3.47Å; D102-L106 PolarHBondContact O-N 3.29Å
103	A	98.9	Very high	98.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-40.3	176	0	0	0	0	0	112.3	V80 H82 S99 K100 E101 I107 I174	V80-A103 HydrophobicContact CB-CB 4.27Å; V80-A103 HydrophobicContact CG1-CB 3.67Å; H82-A103 HydrophobicContact CB-CB 4.12Å; S99-A103 PolarHBondContact O-N 2.61Å; S99-A103 VanDerWaalsContact O-N 3.12Å; K100-A103 WeakPolarHBondContact O-CB 3.23Å; K100-A103 PolarHBondContact O-N 3.07Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.49Å; A103-I107 WeakPolarHBondContact O-CG1 3.09Å; A103-I107 PolarHBondContact O-N 2.8Å; A103-I107 VanDerWaalsContact O-N 3.11Å; A103-I174 HydrophobicContact CB-CB 4.44Å; A103-I174 HydrophobicContact CB-CG1 3.81Å
104	V	98.9	Very high	98.7	Very high	29 Å²	29	59.8 Å²	59.8	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-44.6	173.2	170.3	0	0	0	0	110.9	K100 E101 D102 I107 K108 P167 I174	K100-V104 WeakPolarHBondContact O-CG2 3.02Å; K100-V104 PolarHBondContact O-N 2.78Å; E101-V104 WeakPolarHBondContact O-CB 3.42Å; E101-V104 PolarHBondContact O-N 2.9Å; E101-V104 VanDerWaalsContact O-N 3.14Å; D102-V104 PolarHBondContact O-N 2.68Å; V104-I107 PolarHBondContact O-N 2.81Å; V104-K108 HydrophobicContact CG1-CD 4.07Å; V104-K108 HydrophobicContact CG1-CG 4.41Å; V104-K108 WeakPolarHBondContact O-CG 3.32Å; V104-K108 PolarHBondContact O-N 3.34Å; V104-P167 HydrophobicContact CG1-CB 4.42Å; V104-P167 HydrophobicContact CG1-CG 4.37Å; V104-I174 HydrophobicContact CG2-CD1 3.77Å; V104-I174 HydrophobicContact CG2-CG1 3.78Å; V104-I174 HydrophobicContact CG2-CG2 4.17Å
105	N	98.9	Very high	98.7	Very high	73 Å²	73	61.4 Å²	61.4	39%	0.39	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-38.5	-179.1	-69.8	-22.2	0	0	0	112.1	E101 D102 K108 S109	E101-N105 VanDerWaalsContact O-CG 3.3Å; E101-N105 PolarHBondContact O-N 3.42Å; E101-N105 PolarHBondContact O-ND2 2.91Å; D102-N105 PolarHBondContact O-N 2.85Å; N105-K108 PolarHBondContact O-N 3.47Å; N105-S109 PolarHBondContact O-N 2.7Å
106	L	98.9	Very high	98.7	Very high	68 Å²	68	59.5 Å²	59.5	36%	0.356	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-48	172	-75.9	168.9	0	0	0	111.5	V80 D102 K108 S109 F110	V80-L106 HydrophobicContact CG1-CB 4.36Å; V80-L106 HydrophobicContact CG1-CD1 3.85Å; V80-L106 HydrophobicContact CG2-CB 4.3Å; D102-L106 WeakPolarHBondContact O-CB 3.38Å; D102-L106 WeakPolarHBondContact O-CG 3.47Å; D102-L106 PolarHBondContact O-N 3.29Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.44Å; L106-S109 WeakPolarHBondContact O-CB 3.4Å; L106-S109 PolarHBondContact O-N 2.86Å; L106-F110 HydrophobicContact CB-CE2 4.23Å; L106-F110 HydrophobicContact CB-CZ 4.26Å; L106-F110 HydrophobicContact CD2-CZ 4.24Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 WeakPolarHBondContact O-CG 3.04Å; L106-F110 PolarHBondContact O-N 3.1Å
107	I	98.9	Very high	98.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-38.8	177.6	-71.5	-70.1	0	0	0	111.9	I78 V80 A103 V104 F110 R111 P167 I174 L176	I78-I107 HydrophobicContact CB-CD1 4.42Å; I78-I107 HydrophobicContact CG2-CD1 4.03Å; V80-I107 HydrophobicContact CB-CD1 4.21Å; V80-I107 HydrophobicContact CB-CG1 4.04Å; V80-I107 HydrophobicContact CG2-CD1 3.67Å; V80-I107 HydrophobicContact CG2-CG1 3.86Å; A103-I107 WeakPolarHBondContact O-CG1 3.09Å; A103-I107 PolarHBondContact O-N 2.8Å; A103-I107 VanDerWaalsContact O-N 3.11Å; V104-I107 PolarHBondContact O-N 2.81Å; I107-F110 HydrophobicContact CD1-CD2 4.3Å; I107-R111 WeakPolarHBondContact O-CB 3.42Å; I107-R111 PolarHBondContact O-N 2.93Å; I107-P167 HydrophobicContact CG2-CB 3.79Å; I107-P167 HydrophobicContact CG2-CG 3.98Å; I107-I174 HydrophobicContact CB-CG2 4.02Å; I107-I174 HydrophobicContact CG1-CB 4.01Å; I107-I174 HydrophobicContact CG1-CG2 3.79Å; I107-I174 HydrophobicContact CG2-CG2 4.16Å; I107-L176 HydrophobicContact CD1-CB 4.05Å; I107-L176 HydrophobicContact CG2-CB 4.02Å; I107-L176 HydrophobicContact CG2-CD1 4.3Å
108	K	98.9	Very high	98.6	Very high	105 Å²	105	66.2 Å²	66.2	46%	0.457	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-46.3	172.7	-73.3	174.2	179.2	173.5	0	111.4	V104 N105 L106 F110 R111 E112 P167	V104-K108 HydrophobicContact CG1-CD 4.07Å; V104-K108 HydrophobicContact CG1-CG 4.41Å; V104-K108 WeakPolarHBondContact O-CG 3.32Å; V104-K108 PolarHBondContact O-N 3.34Å; N105-K108 PolarHBondContact O-N 3.47Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.44Å; K108-F110 PolarHBondContact O-N 3.1Å; K108-R111 WeakPolarHBondContact O-CB 3.06Å; K108-R111 PolarHBondContact O-N 2.88Å; K108-E112 WeakPolarHBondContact O-CG 3.45Å; K108-E112 PolarHBondContact O-N 2.9Å; K108-P167 HydrophobicContact CG-CG 3.71Å
109	S	98.8	Very high	98.6	Very high	55 Å²	55	65.3 Å²	65.3	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-51	176.8	-169	0	0	0	0	111.3	N105 L106 R111 E112 E113	N105-S109 PolarHBondContact O-N 2.7Å; L106-S109 WeakPolarHBondContact O-CB 3.4Å; L106-S109 PolarHBondContact O-N 2.86Å; S109-R111 VanDerWaalsContact C-N 3.29Å; S109-R111 PolarHBondContact O-N 2.88Å; S109-E112 PolarHBondContact O-N 3.5Å; S109-E112 VanDerWaalsContact O-N 3.09Å; S109-E113 WeakPolarHBondContact O-CG 3.5Å; S109-E113 PolarHBondContact O-N 3.41Å; S109-E113 PolarHBondContact OG-OE1 3.4Å
110	F	98.8	Very high	98.6	Very high	17 Å²	17	71.3 Å²	71.3	8%	0.075	36%	0.36	C	S	.	.	H	α-helix	trans	-57.4	-43.1	178.8	-59.6	-24	0	0	0	111.8	I78 V80 L106 I107 K108 E112 E113 I114 I124 Q128 L176	I78-F110 HydrophobicContact CG2-CD2 3.96Å; I78-F110 HydrophobicContact CG2-CE2 4.18Å; V80-F110 HydrophobicContact CG2-CD2 4.43Å; V80-F110 HydrophobicContact CG2-CE2 3.72Å; L106-F110 HydrophobicContact CB-CE2 4.23Å; L106-F110 HydrophobicContact CB-CZ 4.26Å; L106-F110 HydrophobicContact CD2-CZ 4.24Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 WeakPolarHBondContact O-CG 3.04Å; L106-F110 PolarHBondContact O-N 3.1Å; I107-F110 HydrophobicContact CD1-CD2 4.3Å; K108-F110 PolarHBondContact O-N 3.1Å; F110-E112 PolarHBondContact O-N 3.27Å; F110-E113 PolarHBondContact O-N 2.95Å; F110-I114 WeakPolarHBondContact O-CB 3.01Å; F110-I114 VanDerWaalsContact O-CD1 3.3Å; F110-I114 WeakPolarHBondContact O-CD1 3.46Å; F110-I114 WeakPolarHBondContact O-CG1 3.43Å; F110-I114 PolarHBondContact O-N 2.89Å; F110-I124 HydrophobicContact CB-CD1 3.98Å; F110-I124 HydrophobicContact CB-CG2 4.07Å; F110-I124 HydrophobicContact CD1-CD1 4.15Å; F110-I124 HydrophobicContact CD1-CG2 3.89Å; F110-I124 HydrophobicContact CD2-CG2 3.7Å; F110-I124 HydrophobicContact CE1-CG2 4.24Å; F110-I124 HydrophobicContact CE2-CG2 4.06Å; F110-I124 HydrophobicContact CG-CD1 4.25Å; F110-I124 HydrophobicContact CG-CG2 3.62Å; F110-I124 HydrophobicContact CZ-CG2 4.32Å; F110-Q128 HydrophobicContact CE1-CB 4.49Å; F110-Q128 HydrophobicContact CE1-CG 4.17Å; F110-Q128 HydrophobicContact CE2-CB 3.96Å; F110-Q128 HydrophobicContact CZ-CB 3.72Å; F110-Q128 HydrophobicContact CZ-CG 3.83Å; F110-L176 HydrophobicContact CB-CD2 4.39Å
111	R	98.7	Very high	98.6	Very high	45 Å²	45	68.3 Å²	68.3	17%	0.17	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-46.5	175.9	177.5	175	175	73.5	-10.6	111.9	I107 K108 S109 I114 K115 L164 S165 L176	I107-R111 WeakPolarHBondContact O-CB 3.42Å; I107-R111 PolarHBondContact O-N 2.93Å; K108-R111 WeakPolarHBondContact O-CB 3.06Å; K108-R111 PolarHBondContact O-N 2.88Å; S109-R111 VanDerWaalsContact C-N 3.29Å; S109-R111 PolarHBondContact O-N 2.88Å; R111-I114 PolarHBondContact O-N 2.79Å; R111-K115 HydrophobicContact CG-CD 4.21Å; R111-K115 VanDerWaalsContact NH2-NZ 3.15Å; R111-K115 WeakPolarHBondContact O-CB 3.18Å; R111-K115 WeakPolarHBondContact O-CG 3.32Å; R111-K115 PolarHBondContact O-N 3.44Å; R111-L164 HydrophobicContact CG-CD2 3.96Å; R111-L164 PolarHBondContact NH1-O 2.81Å; R111-L164 PolarHBondContact NH2-O 3.22Å; R111-S165 WeakPolarHBondContact CD-O 3.42Å; R111-S165 VanDerWaalsContact NH1-C 3.33Å; R111-S165 PolarHBondContact NH1-O 2.84Å; R111-L176 HydrophobicContact CB-CD1 3.93Å; R111-L176 HydrophobicContact CB-CD2 4Å; R111-L176 HydrophobicContact CG-CD1 4.23Å
112	E	98.8	Very high	98.6	Very high	102 Å²	102	63.3 Å²	63.3	48%	0.477	33%	0.327	S	S	.	.	H	α-helix	trans	-68.6	-37.2	-179.4	-67	-53.6	114.1	0	0	112.2	K108 S109 F110 A116	K108-E112 WeakPolarHBondContact O-CG 3.45Å; K108-E112 PolarHBondContact O-N 2.9Å; S109-E112 PolarHBondContact O-N 3.5Å; S109-E112 VanDerWaalsContact O-N 3.09Å; F110-E112 PolarHBondContact O-N 3.27Å; E112-A116 WeakPolarHBondContact O-CB 3.25Å; E112-A116 PolarHBondContact O-N 3.49Å
113	E	98.8	Very high	98.6	Very high	58 Å²	58	62.1 Å²	62.1	27%	0.271	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-43.3	174.2	-70	173	-110	0	0	112	S109 F110 A116 G117 R118 A119	S109-E113 WeakPolarHBondContact O-CG 3.5Å; S109-E113 PolarHBondContact O-N 3.41Å; S109-E113 PolarHBondContact OG-OE1 3.4Å; F110-E113 PolarHBondContact O-N 2.95Å; E113-A116 PolarHBondContact O-N 3.28Å; E113-G117 PolarHBondContact O-N 3.31Å; E113-R118 PolarHBondContact O-N 2.9Å; E113-A119 HydrophobicContact CB-CB 4.12Å; E113-A119 PolarHBondContact O-N 3.34Å
114	I	98.7	Very high	98.6	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.169	32%	0.324	C	S	.	.	H	α-helix	trans	-65.4	-46.7	176.5	-68.4	160.7	0	0	0	110.8	I78 F110 R111 A116 G117 A119 F121 I124 L164 L176	I78-I114 HydrophobicContact CD1-CD1 4.11Å; F110-I114 WeakPolarHBondContact O-CB 3.01Å; F110-I114 VanDerWaalsContact O-CD1 3.3Å; F110-I114 WeakPolarHBondContact O-CD1 3.46Å; F110-I114 WeakPolarHBondContact O-CG1 3.43Å; F110-I114 PolarHBondContact O-N 2.89Å; R111-I114 PolarHBondContact O-N 2.79Å; I114-A116 VanDerWaalsContact C-N 3.3Å; I114-A116 PolarHBondContact O-N 3.18Å; I114-G117 PolarHBondContact O-N 2.93Å; I114-A119 WeakPolarHBondContact CA-O 3.41Å; I114-F121 HydrophobicContact CD1-CB 4.17Å; I114-F121 HydrophobicContact CD1-CD2 3.77Å; I114-F121 HydrophobicContact CD1-CG 4.31Å; I114-I124 HydrophobicContact CD1-CD1 4.02Å; I114-I124 HydrophobicContact CG1-CD1 3.94Å; I114-L164 HydrophobicContact CB-CD2 4.36Å; I114-L164 HydrophobicContact CG2-CD2 3.98Å; I114-L176 HydrophobicContact CD1-CD2 3.92Å
115	K	97.9	Very high	98.6	Very high	121 Å²	121	61.3 Å²	61.3	53%	0.526	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-36.9	178.2	-80.3	-175.7	166.3	-169	0	113	R111 G117	R111-K115 HydrophobicContact CG-CD 4.21Å; R111-K115 VanDerWaalsContact NH2-NZ 3.15Å; R111-K115 WeakPolarHBondContact O-CB 3.18Å; R111-K115 WeakPolarHBondContact O-CG 3.32Å; R111-K115 PolarHBondContact O-N 3.44Å; K115-G117 PolarHBondContact O-N 3.35Å
116	A	98.1	Very high	98.6	Very high	63 Å²	63	62.5 Å²	62.5	52%	0.521	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1	175.7	0	0	0	0	0	113.2	E112 E113 I114 R118	E112-A116 WeakPolarHBondContact O-CB 3.25Å; E112-A116 PolarHBondContact O-N 3.49Å; E113-A116 PolarHBondContact O-N 3.28Å; I114-A116 VanDerWaalsContact C-N 3.3Å; I114-A116 PolarHBondContact O-N 3.18Å; A116-R118 HydrophobicContact CB-CG 4.09Å; A116-R118 PolarHBondContact O-N 2.91Å
117	G	97.5	Very high	98.6	Very high	66 Å²	66	62.7 Å²	62.7	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	13.5	-177.1	0	0	0	0	0	114.2	E113 I114 K115	E113-G117 PolarHBondContact O-N 3.31Å; I114-G117 PolarHBondContact O-N 2.93Å; K115-G117 PolarHBondContact O-N 3.35Å
118	R	98.4	Very high	98.6	Very high	184 Å²	184	66 Å²	66	69%	0.694	34%	0.338	S	S	*	.	S	Bend	trans	-83	-19.6	-177.8	-68.3	-174.9	-70.2	166.5	-0.5	113.1	E113 A116	E113-R118 PolarHBondContact O-N 2.9Å; A116-R118 HydrophobicContact CB-CG 4.09Å; A116-R118 PolarHBondContact O-N 2.91Å
119	A	98.3	Very high	98.6	Very high	26 Å²	26	61 Å²	61	22%	0.215	32%	0.316	C	S	.	.	S	Bend	trans	-143.5	149.6	177.3	0	0	0	0	0	110.6	E113 I114 I124	E113-A119 HydrophobicContact CB-CB 4.12Å; E113-A119 PolarHBondContact O-N 3.34Å; I114-A119 WeakPolarHBondContact CA-O 3.41Å; A119-I124 HydrophobicContact CB-CD1 3.7Å; A119-I124 HydrophobicContact CB-CG1 4.12Å
120	R	98.5	Very high	98.6	Very high	157 Å²	157	58.4 Å²	58.4	59%	0.592	30%	0.298	S	S	*	.			trans	-88.1	143	171.8	-52	-171.8	-57.9	156.8	0.7	109.9	S122 D123 I124	R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 3.34Å; R120-D123 WeakPolarHBondContact CB-OD2 3.47Å; R120-D123 IonicContact CZ-OD1 2.63Å; R120-D123 VanDerWaalsContact CZ-OD1 3.27Å; R120-D123 IonicContact CZ-OD2 3.49Å; R120-D123 IonicContact NE-OD1 3.78Å; R120-D123 PolarHBondContact NE-OD1 2.9Å; R120-D123 IonicContact NE-OD2 2.77Å; R120-D123 PolarHBondContact NE-OD2 3.09Å; R120-D123 IonicContact NH2-OD1 3.3Å; R120-D123 PolarHBondContact NH2-OD1 3.49Å; R120-D123 IonicContact NH2-OD2 3.37Å; R120-D123 PolarHBondContact NH2-OD2 3.44Å; R120-D123 PolarHBondContact O-N 2.85Å; R120-I124 PolarHBondContact O-N 3.32Å
121	F	98.8	Very high	98.6	Very high	18 Å²	18	58.6 Å²	58.6	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-54.8	-45.4	177.3	-173.1	-77.3	0	0	0	112	I78 I114 D123 I124 A125 L164 L176 L178	I78-F121 HydrophobicContact CD1-CD1 4.47Å; I78-F121 HydrophobicContact CD1-CD2 4.06Å; I78-F121 HydrophobicContact CD1-CE1 4.23Å; I78-F121 HydrophobicContact CD1-CE2 3.79Å; I78-F121 HydrophobicContact CD1-CG 4.37Å; I78-F121 HydrophobicContact CD1-CZ 3.87Å; I78-F121 HydrophobicContact CG1-CE1 4.05Å; I78-F121 HydrophobicContact CG1-CE2 4.28Å; I78-F121 HydrophobicContact CG1-CZ 3.84Å; I114-F121 HydrophobicContact CD1-CB 4.17Å; I114-F121 HydrophobicContact CD1-CD2 3.77Å; I114-F121 HydrophobicContact CD1-CG 4.31Å; F121-D123 VanDerWaalsContact C-N 3.31Å; F121-D123 PolarHBondContact O-N 2.89Å; F121-I124 PolarHBondContact O-N 2.88Å; F121-A125 HydrophobicContact CD1-CB 4.36Å; F121-A125 HydrophobicContact CE1-CB 4.18Å; F121-A125 WeakPolarHBondContact O-CB 3.4Å; F121-A125 PolarHBondContact O-N 2.99Å; F121-L164 HydrophobicContact CD2-CD1 3.59Å; F121-L164 HydrophobicContact CE2-CD1 3.5Å; F121-L176 HydrophobicContact CE2-CD2 4.2Å; F121-L176 HydrophobicContact CE2-CG 4.14Å; F121-L178 HydrophobicContact CB-CD2 4.29Å; F121-L178 HydrophobicContact CD1-CD2 4.37Å; F121-L178 HydrophobicContact CD2-CB 3.95Å; F121-L178 HydrophobicContact CD2-CD2 4.2Å; F121-L178 HydrophobicContact CE1-CB 4.41Å; F121-L178 HydrophobicContact CE2-CB 3.71Å; F121-L178 HydrophobicContact CG-CB 4.42Å; F121-L178 HydrophobicContact CG-CD2 4.02Å; F121-L178 HydrophobicContact CZ-CB 3.97Å
122	S	98.6	Very high	98.5	Very high	32 Å²	32	60.6 Å²	60.6	22%	0.224	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-41.6	-179.4	53.1	0	0	0	0	112.8	R120 A125 E126	R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 3.34Å; S122-A125 PolarHBondContact O-N 3.02Å; S122-E126 WeakPolarHBondContact O-CB 3.22Å; S122-E126 PolarHBondContact O-N 2.7Å
123	D	98.8	Very high	98.5	Very high	53 Å²	53	56.1 Å²	56.1	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-71.5	-40	-174.5	-57.4	-14.4	0	0	0	110.6	R120 F121 T127	R120-D123 WeakPolarHBondContact CB-OD2 3.47Å; R120-D123 IonicContact CZ-OD1 2.63Å; R120-D123 VanDerWaalsContact CZ-OD1 3.27Å; R120-D123 IonicContact CZ-OD2 3.49Å; R120-D123 IonicContact NE-OD1 3.78Å; R120-D123 PolarHBondContact NE-OD1 2.9Å; R120-D123 IonicContact NE-OD2 2.77Å; R120-D123 PolarHBondContact NE-OD2 3.09Å; R120-D123 IonicContact NH2-OD1 3.3Å; R120-D123 PolarHBondContact NH2-OD1 3.49Å; R120-D123 IonicContact NH2-OD2 3.37Å; R120-D123 PolarHBondContact NH2-OD2 3.44Å; R120-D123 PolarHBondContact O-N 2.85Å; F121-D123 VanDerWaalsContact C-N 3.31Å; F121-D123 PolarHBondContact O-N 2.89Å; D123-T127 WeakPolarHBondContact O-CB 3.41Å; D123-T127 WeakPolarHBondContact O-CG2 3.36Å; D123-T127 PolarHBondContact O-N 3.03Å; D123-T127 PolarHBondContact O-OG1 3.3Å
124	I	98.9	Very high	98.5	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.062	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-41	173.2	-60.8	-176.6	0	0	0	109.9	I78 F110 I114 A119 R120 F121 E126 T127 Q128 S129	I78-I124 HydrophobicContact CD1-CB 3.88Å; I78-I124 HydrophobicContact CD1-CG2 3.57Å; I78-I124 HydrophobicContact CG1-CG2 4.15Å; I78-I124 HydrophobicContact CG2-CG2 4.24Å; F110-I124 HydrophobicContact CB-CD1 3.98Å; F110-I124 HydrophobicContact CB-CG2 4.07Å; F110-I124 HydrophobicContact CD1-CD1 4.15Å; F110-I124 HydrophobicContact CD1-CG2 3.89Å; F110-I124 HydrophobicContact CD2-CG2 3.7Å; F110-I124 HydrophobicContact CE1-CG2 4.24Å; F110-I124 HydrophobicContact CE2-CG2 4.06Å; F110-I124 HydrophobicContact CG-CD1 4.25Å; F110-I124 HydrophobicContact CG-CG2 3.62Å; F110-I124 HydrophobicContact CZ-CG2 4.32Å; I114-I124 HydrophobicContact CD1-CD1 4.02Å; I114-I124 HydrophobicContact CG1-CD1 3.94Å; A119-I124 HydrophobicContact CB-CD1 3.7Å; A119-I124 HydrophobicContact CB-CG1 4.12Å; R120-I124 PolarHBondContact O-N 3.32Å; F121-I124 PolarHBondContact O-N 2.88Å; I124-E126 PolarHBondContact O-N 3.17Å; I124-T127 PolarHBondContact O-N 2.91Å; I124-Q128 HydrophobicContact CG2-CB 3.96Å; I124-Q128 HydrophobicContact CG2-CG 4.07Å; I124-Q128 WeakPolarHBondContact O-CA 3.26Å; I124-Q128 VanDerWaalsContact O-CB 3.26Å; I124-Q128 WeakPolarHBondContact O-CB 3.47Å; I124-Q128 PolarHBondContact O-N 2.86Å; I124-S129 PolarHBondContact O-N 3.43Å
125	A	98.9	Very high	98.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-43.7	177.6	0	0	0	0	0	112.2	I78 F121 S122 S129 A134 C137	I78-A125 HydrophobicContact CG1-CB 3.77Å; F121-A125 HydrophobicContact CD1-CB 4.36Å; F121-A125 HydrophobicContact CE1-CB 4.18Å; F121-A125 WeakPolarHBondContact O-CB 3.4Å; F121-A125 PolarHBondContact O-N 2.99Å; S122-A125 PolarHBondContact O-N 3.02Å; A125-S129 WeakPolarHBondContact O-CB 3.37Å; A125-S129 PolarHBondContact O-N 3.31Å; A125-A134 VanDerWaalsContact O-CB 3.3Å; A125-A134 WeakPolarHBondContact O-CB 3.5Å; A125-C137 WeakPolarHBondContact CB-O 3.47Å
126	E	98.7	Very high	98.6	Very high	97 Å²	97	58.1 Å²	58.1	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-43	177.8	-174.8	177.4	-166.8	0	0	112.2	W91 S122 I124 A134	W91-E126 VanDerWaalsContact CH2-O 3.31Å; W91-E126 WeakPolarHBondContact CH2-O 3.35Å; W91-E126 WeakPolarHBondContact CZ2-O 3.36Å; S122-E126 WeakPolarHBondContact O-CB 3.22Å; S122-E126 PolarHBondContact O-N 2.7Å; I124-E126 PolarHBondContact O-N 3.17Å; E126-A134 WeakPolarHBondContact CA-O 3.38Å
127	T	98.5	Very high	98.6	Very high	72 Å²	72	57.6 Å²	57.6	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-95.7	-28.1	-170.3	61.8	0	0	0	0	114.7	R92 D123 I124	R92-T127 PolarHBondContact NE-O 2.89Å; R92-T127 PolarHBondContact NH2-O 3.11Å; D123-T127 WeakPolarHBondContact O-CB 3.41Å; D123-T127 WeakPolarHBondContact O-CG2 3.36Å; D123-T127 PolarHBondContact O-N 3.03Å; D123-T127 PolarHBondContact O-OG1 3.3Å; I124-T127 PolarHBondContact O-N 2.91Å
128	Q	98.7	Very high	98.6	Very high	69 Å²	69	54.4 Å²	54.4	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-113.5	-21.2	-171.8	-56.3	-55.9	-41.7	0	0	114.4	R92 F110 I124 D130	R92-Q128 PolarHBondContact NH1-O 3.39Å; R92-Q128 VanDerWaalsContact NH1-O 3.12Å; F110-Q128 HydrophobicContact CE1-CB 4.49Å; F110-Q128 HydrophobicContact CE1-CG 4.17Å; F110-Q128 HydrophobicContact CE2-CB 3.96Å; F110-Q128 HydrophobicContact CZ-CB 3.72Å; F110-Q128 HydrophobicContact CZ-CG 3.83Å; I124-Q128 HydrophobicContact CG2-CB 3.96Å; I124-Q128 HydrophobicContact CG2-CG 4.07Å; I124-Q128 WeakPolarHBondContact O-CA 3.26Å; I124-Q128 VanDerWaalsContact O-CB 3.26Å; I124-Q128 WeakPolarHBondContact O-CB 3.47Å; I124-Q128 PolarHBondContact O-N 2.86Å; Q128-D130 PolarHBondContact O-N 3.34Å
129	S	98.9	Very high	98.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.			trans	-72.2	130.6	-175.9	-169.5	0	0	0	0	112.5	L79 W91 R92 I124 A125 C131	L79-S129 PolarHBondContact N-OG 3.47Å; L79-S129 CarbonylContact O-C 3.52Å; L79-S129 WeakPolarHBondContact O-CA 3.34Å; W91-S129 WeakPolarHBondContact CZ2-O 3.43Å; W91-S129 PolarHBondContact NE1-O 3.29Å; R92-S129 WeakPolarHBondContact CD-O 3.4Å; I124-S129 PolarHBondContact O-N 3.43Å; A125-S129 WeakPolarHBondContact O-CB 3.37Å; A125-S129 PolarHBondContact O-N 3.31Å; S129-C131 PolarHBondContact O-N 2.84Å; S129-C131 PolarHBondContact OG-N 3.43Å
130	D	98.8	Very high	98.7	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.254	C	S	.	.			trans	-80.2	-1.3	172.5	-73.8	-46.5	0	0	0	113.2	L79 K81 S90 R98 Q128	L79-D130 WeakPolarHBondContact O-CB 3.45Å; L79-D130 PolarHBondContact O-N 3.3Å; K81-D130 HydrophobicContact CB-CB 4.25Å; K81-D130 HydrophobicContact CD-CB 3.8Å; K81-D130 HydrophobicContact CG-CB 3.59Å; K81-D130 PolarHBondContact N-OD2 3.08Å; S90-D130 WeakPolarHBondContact CB-O 3.33Å; S90-D130 VanDerWaalsContact CB-OD1 3.31Å; S90-D130 WeakPolarHBondContact CB-OD1 3.37Å; S90-D130 PolarHBondContact OG-OD1 2.96Å; R98-D130 IonicContact CZ-OD2 3.76Å; R98-D130 IonicContact NH1-OD2 2.85Å; R98-D130 PolarHBondContact NH1-OD2 3.3Å; R98-D130 IonicContact NH2-OD2 3.27Å; Q128-D130 PolarHBondContact O-N 3.34Å
131	C	98.7	Very high	98.7	Very high	22 Å²	22	42.7 Å²	42.7	15%	0.149	24%	0.237	C	C	.	.	S	Bend	trans	-81.3	149.5	172.8	-167.6	0	0	0	0	111.1	H77 L79 W91 S129 S133 A134	H77-C131 WeakPolarHBondContact NE2-CB 3.35Å; H77-C131 PolarHBondContact NE2-SG 3.23Å; L79-C131 HydrophobicContact CB-CB 3.97Å; L79-C131 HydrophobicContact CD2-CB 4.09Å; W91-C131 PolarHBondContact NE1-O 3.01Å; S129-C131 PolarHBondContact O-N 2.84Å; S129-C131 PolarHBondContact OG-N 3.43Å; C131-S133 PolarHBondContact O-N 2.87Å; C131-S133 PolarHBondContact SG-OG 3.4Å; C131-S133 VanDerWaalsContact SG-OG 3.39Å; C131-A134 WeakPolarHBondContact O-CB 3.38Å; C131-A134 PolarHBondContact O-N 3.17Å
132	S	98.3	Very high	98.7	Very high	87 Å²	87	48.1 Å²	48.1	61%	0.608	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.5	174.2	51	0	0	0	0	113.7	A134 K135	S132-A134 PolarHBondContact O-N 3.01Å; S132-K135 WeakPolarHBondContact O-CG 3.05Å
133	S	98.7	Very high	98.7	Very high	8 Å²	8	47 Å²	47	6%	0.056	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-71.5	-3.5	172.3	62	0	0	0	0	113.3	C131 K135 D136 C137 G138	C131-S133 PolarHBondContact O-N 2.87Å; C131-S133 PolarHBondContact SG-OG 3.4Å; C131-S133 VanDerWaalsContact SG-OG 3.39Å; S133-K135 PolarHBondContact O-N 2.66Å; S133-D136 CarbonylContact O-C 3.58Å; S133-D136 WeakPolarHBondContact O-CA 3.41Å; S133-D136 PolarHBondContact O-N 3.42Å; S133-C137 PolarHBondContact O-N 3.43Å; S133-G138 WeakPolarHBondContact O-CA 3.38Å; S133-G138 PolarHBondContact O-N 3.04Å
134	A	98.7	Very high	98.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-53.1	-37.9	173	0	0	0	0	0	112.4	W91 A125 E126 C131 S132 D136 C137	W91-A134 HydrophobicContact CH2-CB 4.47Å; W91-A134 HydrophobicContact CZ2-CB 3.39Å; A125-A134 VanDerWaalsContact O-CB 3.3Å; A125-A134 WeakPolarHBondContact O-CB 3.5Å; E126-A134 WeakPolarHBondContact CA-O 3.38Å; C131-A134 WeakPolarHBondContact O-CB 3.38Å; C131-A134 PolarHBondContact O-N 3.17Å; S132-A134 PolarHBondContact O-N 3.01Å; A134-D136 PolarHBondContact O-N 3.12Å; A134-C137 PolarHBondContact O-N 3.49Å
135	K	98.4	Very high	98.5	Very high	166 Å²	166	51.2 Å²	51.2	72%	0.722	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-62.4	-20.6	175.1	74.7	-173.2	-179.1	166.3	0	114	S132 S133	S132-K135 WeakPolarHBondContact O-CG 3.05Å; S133-K135 PolarHBondContact O-N 2.66Å
136	D	98.7	Very high	98.4	Very high	86 Å²	86	54.4 Å²	54.4	46%	0.46	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-107.3	26.8	178.6	-52.4	-64.8	0	0	0	109.9	S133 A134 G138 D139	S133-D136 CarbonylContact O-C 3.58Å; S133-D136 WeakPolarHBondContact O-CA 3.41Å; S133-D136 PolarHBondContact O-N 3.42Å; A134-D136 PolarHBondContact O-N 3.12Å; D136-G138 PolarHBondContact O-N 2.9Å; D136-G138 VanDerWaalsContact O-N 3.08Å; D136-D139 WeakPolarHBondContact O-CB 3.34Å; D136-D139 PolarHBondContact O-N 3.37Å
137	C	98.5	Very high	98.4	Very high	52 Å²	52	57 Å²	57	35%	0.351	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	31.3	-176.5	-58.5	0	0	0	0	113.6	A125 S133 A134	A125-C137 WeakPolarHBondContact CB-O 3.47Å; S133-C137 PolarHBondContact O-N 3.43Å; A134-C137 PolarHBondContact O-N 3.49Å
138	G	98.8	Very high	98.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-2.8	-178.9	0	0	0	0	0	115.4	S76 H77 S133 D136 L140	S76-G138 CarbonylContact C-O 3.54Å; S76-G138 WeakPolarHBondContact CA-O 3.41Å; H77-G138 PolarHBondContact N-O 3.5Å; H77-G138 WeakPolarHBondContact O-CA 3.22Å; S133-G138 WeakPolarHBondContact O-CA 3.38Å; S133-G138 PolarHBondContact O-N 3.04Å; D136-G138 PolarHBondContact O-N 2.9Å; D136-G138 VanDerWaalsContact O-N 3.08Å; G138-L140 PolarHBondContact O-N 3.14Å
139	D	98.8	Very high	98.4	Very high	50 Å²	50	55.5 Å²	55.5	27%	0.267	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.3	-179.7	-166.4	4.6	0	0	0	111.1	K74 D136 G141	K74-D139 VanDerWaalsContact CE-CG 3.44Å; K74-D139 WeakPolarHBondContact CE-OD1 3.48Å; K74-D139 WeakPolarHBondContact CE-OD2 3.5Å; K74-D139 IonicContact NZ-OD1 2.76Å; K74-D139 IonicContact NZ-OD2 3.89Å; K74-D139 PolarHBondContact NZ-OD2 2.88Å; D136-D139 WeakPolarHBondContact O-CB 3.34Å; D136-D139 PolarHBondContact O-N 3.37Å; D139-G141 PolarHBondContact OD1-N 3.28Å
140	L	98.7	Very high	98.3	Very high	47 Å²	47	61.1 Å²	61.1	25%	0.246	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-3.2	174.7	-59.3	177.8	0	0	0	112	C75 H77 G138 F152	C75-L140 WeakPolarHBondContact O-CB 3.34Å; C75-L140 PolarHBondContact O-N 2.9Å; H77-L140 HydrophobicContact CB-CD1 4.25Å; G138-L140 PolarHBondContact O-N 3.14Å; L140-F152 HydrophobicContact CD1-CE1 3.84Å; L140-F152 HydrophobicContact CD1-CE2 4.32Å; L140-F152 HydrophobicContact CD1-CZ 3.43Å; L140-F152 VanDerWaalsContact CD1-CZ 3.43Å
141	G	98.5	Very high	98.3	Very high	24 Å²	24	65.3 Å²	65.3	25%	0.247	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68	-165.2	-173.5	0	0	0	0	0	112.4	K74 C75 D139	K74-G141 WeakPolarHBondContact CA-O 3.37Å; K74-G141 WeakPolarHBondContact CG-O 3.38Å; C75-G141 PolarHBondContact N-O 3.15Å; D139-G141 PolarHBondContact OD1-N 3.28Å
142	Y	98.6	Very high	98.3	Very high	131 Å²	131	64.5 Å²	64.5	51%	0.514	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.5	176.8	-74.4	-85.9	0	0	0	111	K72 V73 K74 A181	K72-Y142 HydrophobicContact CD-CD1 3.92Å; K72-Y142 HydrophobicContact CD-CG 4.21Å; K72-Y142 HydrophobicContact CG-CD1 3.92Å; V73-Y142 CarbonylContact O-C 3.49Å; V73-Y142 VanDerWaalsContact O-CA 3.26Å; V73-Y142 WeakPolarHBondContact O-CA 3.35Å; K74-Y142 HydrophobicContact CB-CD1 3.81Å; K74-Y142 HydrophobicContact CB-CD2 4.37Å; K74-Y142 HydrophobicContact CB-CE1 3.76Å; K74-Y142 HydrophobicContact CB-CE2 4.32Å; K74-Y142 HydrophobicContact CB-CG 4.13Å; K74-Y142 HydrophobicContact CD-CD2 4.36Å; K74-Y142 HydrophobicContact CD-CE2 4.04Å; K74-Y142 HydrophobicContact CG-CD2 4.36Å; K74-Y142 HydrophobicContact CG-CE2 4.41Å; K74-Y142 HydrophobicContact CG-CG 4.47Å; Y142-A181 HydrophobicContact CE1-CB 3.74Å; Y142-A181 WeakPolarHBondContact OH-CB 3Å
143	F	98.7	Very high	98.3	Very high	10 Å²	10	60.7 Å²	60.7	4%	0.044	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147	170.2	63.3	-86.5	0	0	0	112	K72 V73 C75 K147 M148 F152 A156 F157	K72-F143 VanDerWaalsContact CA-O 3.24Å; K72-F143 WeakPolarHBondContact CA-O 3.1Å; K72-F143 WeakPolarHBondContact CB-O 3.3Å; V73-F143 HydrophobicContact CG2-CD2 4.46Å; V73-F143 HydrophobicContact CG2-CE1 4Å; V73-F143 HydrophobicContact CG2-CE2 3.9Å; V73-F143 HydrophobicContact CG2-CZ 3.64Å; V73-F143 PolarHBondContact N-O 2.85Å; V73-F143 PolarHBondContact O-N 2.85Å; C75-F143 HydrophobicContact CB-CE1 4.03Å; F143-K147 HydrophobicContact CB-CB 4.14Å; F143-M148 HydrophobicContact CB-CE 3.9Å; F143-M148 HydrophobicContact CD1-CE 4.02Å; F143-M148 HydrophobicContact CD1-CG 4.38Å; F143-M148 HydrophobicContact CD2-CB 4.4Å; F143-M148 HydrophobicContact CD2-CE 4.4Å; F143-M148 HydrophobicContact CD2-CG 3.5Å; F143-M148 VanDerWaalsContact CD2-CG 3.5Å; F143-M148 HydrophobicContact CE1-CG 4.47Å; F143-M148 HydrophobicContact CE2-CB 4.27Å; F143-M148 HydrophobicContact CE2-CG 3.6Å; F143-M148 HydrophobicContact CG-CE 3.85Å; F143-M148 HydrophobicContact CG-CG 3.91Å; F143-M148 HydrophobicContact CZ-CG 4.09Å; F143-F152 HydrophobicContact CE1-CE1 4.22Å; F143-F152 HydrophobicContact CZ-CD1 4.26Å; F143-F152 AromaticContact CZ-CE1 3.81Å; F143-F152 HydrophobicContact CZ-CE1 3.81Å; F143-A156 HydrophobicContact CE2-CB 4.22Å; F143-A156 HydrophobicContact CZ-CB 3.61Å; F143-F157 HydrophobicContact CD2-CE2 4.14Å; F143-F157 HydrophobicContact CE2-CD2 4.38Å; F143-F157 AromaticContact CE2-CE2 3.82Å; F143-F157 HydrophobicContact CE2-CE2 3.82Å
144	S	97.8	Very high	98.3	Very high	46 Å²	46	63.6 Å²	63.6	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	169.5	171.2	65.3	0	0	0	0	110.7	S71 K147	S71-S144 WeakPolarHBondContact O-CA 3.33Å; S71-S144 WeakPolarHBondContact O-CB 3.34Å; S144-K147 WeakPolarHBondContact O-CB 3.42Å; S144-K147 WeakPolarHBondContact O-CG 3.36Å; S144-K147 PolarHBondContact O-N 3.18Å
145	R	96.7	Very high	98.2	Very high	107 Å²	107	64.6 Å²	64.6	40%	0.404	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	147.6	169.2	-60.4	-176.5	-178.9	-84.1	6.2	110.7	E69 K147 E153 F157	E69-R145 IonicContact OE2-NH2 2.82Å; E69-R145 PolarHBondContact OE2-NH2 2.87Å; R145-K147 VanDerWaalsContact C-N 3.34Å; R145-E153 VanDerWaalsContact CA-OE2 3.22Å; R145-E153 WeakPolarHBondContact CA-OE2 3.39Å; R145-E153 HydrophobicContact CG-CG 4.24Å; R145-E153 IonicContact NH1-OE1 2.62Å; R145-F157 HydrophobicContact CG-CD1 4.25Å; R145-F157 HydrophobicContact CG-CD2 4.22Å; R145-F157 HydrophobicContact CG-CE1 3.8Å; R145-F157 HydrophobicContact CG-CE2 3.78Å; R145-F157 HydrophobicContact CG-CG 4.44Å; R145-F157 HydrophobicContact CG-CZ 3.57Å
146	G	97.3	Very high	98.2	Very high	67 Å²	67	56.7 Å²	56.7	69%	0.691	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-3.4	-175	0	0	0	0	0	115.2	E153	G146-E153 PolarHBondContact N-OE2 2.93Å
147	K	97.8	Very high	98.2	Very high	151 Å²	151	52.9 Å²	52.9	66%	0.657	28%	0.278	S	S	*	.	S	Bend	trans	-95	-18.3	-178.8	-61.3	-57.8	-176.4	-176.4	0	114.4	F143 S144 R145	F143-K147 HydrophobicContact CB-CB 4.14Å; S144-K147 WeakPolarHBondContact O-CB 3.42Å; S144-K147 WeakPolarHBondContact O-CG 3.36Å; S144-K147 PolarHBondContact O-N 3.18Å; R145-K147 VanDerWaalsContact C-N 3.34Å
148	M	97.8	Very high	98.1	Very high	65 Å²	65	55.1 Å²	55.1	32%	0.32	29%	0.294	S	S	.	.	S	Bend	trans	-121.6	165.9	-179.2	-61.1	-61.3	160.6	0	0	110.6	F143 F152 E153	F143-M148 HydrophobicContact CB-CE 3.9Å; F143-M148 HydrophobicContact CD1-CE 4.02Å; F143-M148 HydrophobicContact CD1-CG 4.38Å; F143-M148 HydrophobicContact CD2-CB 4.4Å; F143-M148 HydrophobicContact CD2-CE 4.4Å; F143-M148 HydrophobicContact CD2-CG 3.5Å; F143-M148 VanDerWaalsContact CD2-CG 3.5Å; F143-M148 HydrophobicContact CE1-CG 4.47Å; F143-M148 HydrophobicContact CE2-CB 4.27Å; F143-M148 HydrophobicContact CE2-CG 3.6Å; F143-M148 HydrophobicContact CG-CE 3.85Å; F143-M148 HydrophobicContact CG-CG 3.91Å; F143-M148 HydrophobicContact CZ-CG 4.09Å; M148-F152 HydrophobicContact CB-CD1 3.88Å; M148-F152 HydrophobicContact CG-CD1 4Å; M148-F152 HydrophobicContact CG-CE1 4.35Å; M148-E153 HydrophobicContact CB-CB 4.43Å
149	Q	98.3	Very high	97.9	Very high	44 Å²	44	55.7 Å²	55.7	21%	0.206	30%	0.297	C	S	.	.			trans	-58.9	143	171.7	-73.1	178.9	65.7	0	0	110.2	Q151 F152 E153 S170 D171 S172	Q149-Q151 VanDerWaalsContact C-N 3.26Å; Q149-Q151 PolarHBondContact O-N 3.02Å; Q149-Q151 VanDerWaalsContact O-N 3.15Å; Q149-F152 WeakPolarHBondContact O-CB 3.47Å; Q149-F152 PolarHBondContact O-N 3Å; Q149-E153 PolarHBondContact O-N 2.73Å; Q149-S170 PolarHBondContact OE1-OG 3.49Å; Q149-D171 VanDerWaalsContact OE1-CB 3.31Å; Q149-S172 PolarHBondContact NE2-OG 2.91Å
150	K	98.3	Very high	97.7	Very high	119 Å²	119	57 Å²	57	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-57.6	-38.5	-167	-172.7	59.1	179.1	170.1	0	113.1	E153 N154	K150-E153 IonicContact NZ-OE1 2.61Å; K150-E153 PolarHBondContact NZ-OE1 3.11Å; K150-N154 WeakPolarHBondContact CE-OD1 3.49Å; K150-N154 PolarHBondContact NZ-OD1 2.9Å; K150-N154 VanDerWaalsContact NZ-OD1 3.15Å; K150-N154 WeakPolarHBondContact O-CB 3.34Å; K150-N154 PolarHBondContact O-N 3.26Å; K150-N154 PolarHBondContact O-OD1 3.37Å
151	Q	98.1	Very high	97.6	Very high	88 Å²	88	58.8 Å²	58.8	41%	0.411	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-44.9	177.5	-54.5	90.7	-31.6	0	0	111.7	Q149 A155 V168 E169	Q149-Q151 VanDerWaalsContact C-N 3.26Å; Q149-Q151 PolarHBondContact O-N 3.02Å; Q149-Q151 VanDerWaalsContact O-N 3.15Å; Q151-A155 WeakPolarHBondContact O-CB 3.47Å; Q151-A155 PolarHBondContact O-N 3.29Å; Q151-A155 VanDerWaalsContact O-N 3.16Å; Q151-V168 HydrophobicContact CB-CG1 4.4Å; Q151-E169 WeakPolarHBondContact CB-O 3.31Å; Q151-E169 WeakPolarHBondContact CG-O 3.47Å
152	F	98.7	Very high	97.5	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-45.6	176.8	-172.6	-81.3	0	0	0	111.3	H77 L140 F143 M148 Q149 A155 A156 H175 I177	H77-F152 HydrophobicContact CB-CE2 3.9Å; H77-F152 HydrophobicContact CB-CZ 4Å; H77-F152 AromaticContact ND1-CE2 3.32Å; H77-F152 VanDerWaalsContact ND1-CE2 3.32Å; H77-F152 WeakPolarHBondContact ND1-CE2 3.45Å; H77-F152 AromaticContact ND1-CZ 3.83Å; L140-F152 HydrophobicContact CD1-CE1 3.84Å; L140-F152 HydrophobicContact CD1-CE2 4.32Å; L140-F152 HydrophobicContact CD1-CZ 3.43Å; L140-F152 VanDerWaalsContact CD1-CZ 3.43Å; F143-F152 HydrophobicContact CE1-CE1 4.22Å; F143-F152 HydrophobicContact CZ-CD1 4.26Å; F143-F152 AromaticContact CZ-CE1 3.81Å; F143-F152 HydrophobicContact CZ-CE1 3.81Å; M148-F152 HydrophobicContact CB-CD1 3.88Å; M148-F152 HydrophobicContact CG-CD1 4Å; M148-F152 HydrophobicContact CG-CE1 4.35Å; Q149-F152 WeakPolarHBondContact O-CB 3.47Å; Q149-F152 PolarHBondContact O-N 3Å; F152-A155 PolarHBondContact O-N 3.47Å; F152-A156 HydrophobicContact CD1-CB 4.48Å; F152-A156 HydrophobicContact CE1-CB 4.33Å; F152-A156 VanDerWaalsContact O-CB 3.28Å; F152-A156 WeakPolarHBondContact O-CB 3.17Å; F152-A156 PolarHBondContact O-N 2.92Å; F152-H175 HydrophobicContact CD2-CB 4.13Å; F152-H175 AromaticContact CD2-CG 3.79Å; F152-H175 AromaticContact CD2-ND1 3.74Å; F152-H175 HydrophobicContact CE2-CB 4.18Å; F152-H175 AromaticContact CE2-ND1 3.76Å; F152-I177 HydrophobicContact CD1-CD1 4.27Å; F152-I177 HydrophobicContact CD2-CD1 3.46Å; F152-I177 VanDerWaalsContact CD2-CD1 3.46Å; F152-I177 HydrophobicContact CD2-CG1 4.02Å; F152-I177 HydrophobicContact CE1-CD1 4.23Å; F152-I177 HydrophobicContact CE2-CD1 3.41Å; F152-I177 VanDerWaalsContact CE2-CD1 3.41Å; F152-I177 HydrophobicContact CE2-CG1 3.5Å; F152-I177 HydrophobicContact CG-CD1 3.9Å; F152-I177 HydrophobicContact CZ-CD1 3.81Å; F152-I177 HydrophobicContact CZ-CG1 3.93Å; F152-I177 HydrophobicContact CZ-CG2 4.12Å
153	E	98.4	Very high	97.5	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-54.5	176.5	175.9	-170.8	109.2	0	0	111.5	R145 G146 M148 Q149 K150 A155 A156 F157	R145-E153 VanDerWaalsContact CA-OE2 3.22Å; R145-E153 WeakPolarHBondContact CA-OE2 3.39Å; R145-E153 HydrophobicContact CG-CG 4.24Å; R145-E153 IonicContact NH1-OE1 2.62Å; G146-E153 PolarHBondContact N-OE2 2.93Å; M148-E153 HydrophobicContact CB-CB 4.43Å; Q149-E153 PolarHBondContact O-N 2.73Å; K150-E153 IonicContact NZ-OE1 2.61Å; K150-E153 PolarHBondContact NZ-OE1 3.11Å; E153-A155 VanDerWaalsContact C-N 3.26Å; E153-A155 PolarHBondContact O-N 3.41Å; E153-A156 PolarHBondContact O-N 2.76Å; E153-A156 VanDerWaalsContact O-N 3.15Å; E153-F157 HydrophobicContact CG-CD2 3.76Å; E153-F157 HydrophobicContact CG-CE2 3.96Å; E153-F157 WeakPolarHBondContact O-CD2 3.39Å; E153-F157 PolarHBondContact O-N 3.26Å
154	N	98.1	Very high	97.4	Very high	69 Å²	69	58.7 Å²	58.7	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-56.8	-44.7	-177.3	-73.8	-6.8	0	0	0	110.8	K150 S158	K150-N154 WeakPolarHBondContact CE-OD1 3.49Å; K150-N154 PolarHBondContact NZ-OD1 2.9Å; K150-N154 VanDerWaalsContact NZ-OD1 3.15Å; K150-N154 WeakPolarHBondContact O-CB 3.34Å; K150-N154 PolarHBondContact O-N 3.26Å; K150-N154 PolarHBondContact O-OD1 3.37Å; N154-S158 WeakPolarHBondContact O-CB 3.22Å; N154-S158 PolarHBondContact O-N 2.9Å; N154-S158 VanDerWaalsContact O-N 3.11Å; N154-S158 PolarHBondContact O-OG 2.97Å
155	A	98.2	Very high	97.5	Very high	22 Å²	22	56.9 Å²	56.9	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-50.6	175.9	0	0	0	0	0	111.8	Q151 F152 E153 F157 S158 L159 V168 I177	Q151-A155 WeakPolarHBondContact O-CB 3.47Å; Q151-A155 PolarHBondContact O-N 3.29Å; Q151-A155 VanDerWaalsContact O-N 3.16Å; F152-A155 PolarHBondContact O-N 3.47Å; E153-A155 VanDerWaalsContact C-N 3.26Å; E153-A155 PolarHBondContact O-N 3.41Å; A155-F157 PolarHBondContact O-N 3.41Å; A155-S158 PolarHBondContact O-N 2.85Å; A155-S158 VanDerWaalsContact O-N 3.1Å; A155-L159 WeakPolarHBondContact O-CG 3.34Å; A155-L159 PolarHBondContact O-N 2.91Å; A155-V168 HydrophobicContact CB-CB 4.4Å; A155-V168 HydrophobicContact CB-CG1 3.96Å; A155-V168 HydrophobicContact CB-CG2 3.55Å; A155-I177 HydrophobicContact CB-CD1 3.91Å
156	A	98.3	Very high	97.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-42.1	-177.8	0	0	0	0	0	113.6	V73 F143 F152 E153 S158 I177	V73-A156 HydrophobicContact CG2-CB 4.31Å; F143-A156 HydrophobicContact CE2-CB 4.22Å; F143-A156 HydrophobicContact CZ-CB 3.61Å; F152-A156 HydrophobicContact CD1-CB 4.48Å; F152-A156 HydrophobicContact CE1-CB 4.33Å; F152-A156 VanDerWaalsContact O-CB 3.28Å; F152-A156 WeakPolarHBondContact O-CB 3.17Å; F152-A156 PolarHBondContact O-N 2.92Å; E153-A156 PolarHBondContact O-N 2.76Å; E153-A156 VanDerWaalsContact O-N 3.15Å; A156-S158 VanDerWaalsContact C-N 3.34Å; A156-I177 HydrophobicContact CB-CG2 4.32Å
157	F	97.3	Very high	97.6	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.022	30%	0.303	C	S	.	.	H	α-helix	trans	-74.6	-23.4	177.8	-82.2	-98.9	0	0	0	113.2	P70 V73 F143 R145 E153 A155 L159	P70-F157 VanDerWaalsContact O-CE1 3.3Å; P70-F157 WeakPolarHBondContact O-CE1 3.18Å; V73-F157 HydrophobicContact CG1-CD1 3.87Å; V73-F157 HydrophobicContact CG1-CE1 3.91Å; V73-F157 HydrophobicContact CG1-CG 4.2Å; V73-F157 HydrophobicContact CG1-CZ 4.26Å; V73-F157 HydrophobicContact CG2-CD2 3.94Å; V73-F157 HydrophobicContact CG2-CE1 4.45Å; V73-F157 HydrophobicContact CG2-CE2 3.73Å; V73-F157 HydrophobicContact CG2-CG 4.4Å; V73-F157 HydrophobicContact CG2-CZ 4Å; F143-F157 HydrophobicContact CD2-CE2 4.14Å; F143-F157 HydrophobicContact CE2-CD2 4.38Å; F143-F157 AromaticContact CE2-CE2 3.82Å; F143-F157 HydrophobicContact CE2-CE2 3.82Å; R145-F157 HydrophobicContact CG-CD1 4.25Å; R145-F157 HydrophobicContact CG-CD2 4.22Å; R145-F157 HydrophobicContact CG-CE1 3.8Å; R145-F157 HydrophobicContact CG-CE2 3.78Å; R145-F157 HydrophobicContact CG-CG 4.44Å; R145-F157 HydrophobicContact CG-CZ 3.57Å; E153-F157 HydrophobicContact CG-CD2 3.76Å; E153-F157 HydrophobicContact CG-CE2 3.96Å; E153-F157 WeakPolarHBondContact O-CD2 3.39Å; E153-F157 PolarHBondContact O-N 3.26Å; A155-F157 PolarHBondContact O-N 3.41Å; F157-L159 VanDerWaalsContact C-N 3.34Å
158	S	96.4	Very high	97.7	Very high	99 Å²	99	46.2 Å²	46.2	69%	0.692	28%	0.277	S	S	*	.	H	α-helix	trans	-81.6	-13.6	177.1	-55.1	0	0	0	0	113.3	N154 A155 A156	N154-S158 WeakPolarHBondContact O-CB 3.22Å; N154-S158 PolarHBondContact O-N 2.9Å; N154-S158 VanDerWaalsContact O-N 3.11Å; N154-S158 PolarHBondContact O-OG 2.97Å; A155-S158 PolarHBondContact O-N 2.85Å; A155-S158 VanDerWaalsContact O-N 3.1Å; A156-S158 VanDerWaalsContact C-N 3.34Å
159	L	95.5	Very high	97.7	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	28%	0.282	C	S	.	.	S	Bend	trans	-79.1	145.1	178	-69.3	168	0	0	0	110.9	A155 F157 E163 I177 R179	A155-L159 WeakPolarHBondContact O-CG 3.34Å; A155-L159 PolarHBondContact O-N 2.91Å; F157-L159 VanDerWaalsContact C-N 3.34Å; L159-E163 WeakPolarHBondContact CA-OE2 3.43Å; L159-E163 HydrophobicContact CB-CB 4.23Å; L159-E163 HydrophobicContact CD2-CB 4.02Å; L159-E163 HydrophobicContact CD2-CG 3.74Å; L159-I177 HydrophobicContact CD1-CB 4.05Å; L159-I177 HydrophobicContact CD1-CG2 3.85Å; L159-R179 HydrophobicContact CB-CB 3.83Å; L159-R179 HydrophobicContact CD1-CB 4.21Å; L159-R179 WeakPolarHBondContact O-CD 3.18Å; L159-R179 PolarHBondContact O-NH1 2.65Å
160	S	95.3	Very high	97.7	Very high	77 Å²	77	45.6 Å²	45.6	54%	0.538	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-73.7	157.6	163.3	-55.1	0	0	0	0	110.7	G162 E163	S160-G162 PolarHBondContact O-N 3.12Å; S160-E163 PolarHBondContact N-OE2 3.49Å; S160-E163 WeakPolarHBondContact O-CB 3.3Å; S160-E163 PolarHBondContact O-N 3.49Å
161	V	95.9	Very high	97.7	Very high	86 Å²	86	44.3 Å²	44.3	52%	0.521	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131	173	179.9	0	0	0	0	109.7	E163 A181	V161-E163 VanDerWaalsContact C-N 3.27Å; V161-A181 VanDerWaalsContact CG2-OXT 3.25Å; V161-A181 WeakPolarHBondContact CG2-OXT 3.31Å
162	G	96.5	Very high	97.8	Very high	58 Å²	58	41.3 Å²	41.3	60%	0.598	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-7	-173.4	0	0	0	0	0	114.3	S160 L178 R179	S160-G162 PolarHBondContact O-N 3.12Å; G162-L178 WeakPolarHBondContact O-CD1 3.44Å; G162-R179 WeakPolarHBondContact CA-O 3.38Å; G162-R179 PolarHBondContact N-O 2.95Å
163	E	97.8	Very high	97.8	Very high	86 Å²	86	41 Å²	41	40%	0.402	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-81.5	140.9	-178.8	-164.7	-175.1	171.5	0	0	112.1	L159 S160 V161 R179	L159-E163 WeakPolarHBondContact CA-OE2 3.43Å; L159-E163 HydrophobicContact CB-CB 4.23Å; L159-E163 HydrophobicContact CD2-CB 4.02Å; L159-E163 HydrophobicContact CD2-CG 3.74Å; S160-E163 PolarHBondContact N-OE2 3.49Å; S160-E163 WeakPolarHBondContact O-CB 3.3Å; S160-E163 PolarHBondContact O-N 3.49Å; V161-E163 VanDerWaalsContact C-N 3.27Å; E163-R179 PolarHBondContact O-N 2.76Å; E163-R179 VanDerWaalsContact O-N 3.11Å
164	L	98	Very high	97.8	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.099	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-102.2	129.9	176.3	-167.8	70.6	0	0	0	109.8	R111 I114 F121 L176 I177 L178	R111-L164 HydrophobicContact CG-CD2 3.96Å; R111-L164 PolarHBondContact NH1-O 2.81Å; R111-L164 PolarHBondContact NH2-O 3.22Å; I114-L164 HydrophobicContact CB-CD2 4.36Å; I114-L164 HydrophobicContact CG2-CD2 3.98Å; F121-L164 HydrophobicContact CD2-CD1 3.59Å; F121-L164 HydrophobicContact CE2-CD1 3.5Å; L164-L176 HydrophobicContact CD1-CD1 4.21Å; L164-L176 HydrophobicContact CD1-CD2 4.07Å; L164-L176 HydrophobicContact CD1-CG 3.83Å; L164-L176 HydrophobicContact CD2-CD1 4.45Å; L164-L176 HydrophobicContact CD2-CD2 4.26Å; L164-L176 HydrophobicContact CG-CD1 4.02Å; L164-L176 HydrophobicContact CG-CD2 4.38Å; L164-L176 HydrophobicContact CG-CG 4.18Å; L164-I177 CarbonylContact C-O 3.34Å; L164-I177 WeakPolarHBondContact CA-O 3.38Å; L164-L178 HydrophobicContact CD1-CB 3.95Å; L164-L178 HydrophobicContact CD1-CD1 4.37Å
165	S	98.7	Very high	97.8	Very high	7 Å²	7	37.7 Å²	37.7	5%	0.049	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-73	165.2	178.2	74.9	0	0	0	0	113.6	R111 L176 I177	R111-S165 WeakPolarHBondContact CD-O 3.42Å; R111-S165 VanDerWaalsContact NH1-C 3.33Å; R111-S165 PolarHBondContact NH1-O 2.84Å; S165-L176 WeakPolarHBondContact O-CD1 3.43Å; S165-I177 PolarHBondContact N-O 3.13Å; S165-I177 PolarHBondContact OG-N 3Å; S165-I177 PolarHBondContact OG-O 3.19Å
166	G	98	Very high	97.9	Very high	31 Å²	31	36.7 Å²	36.7	32%	0.32	23%	0.234	S	C	.	.			trans	-69.9	-174.8	155.3	0	0	0	0	0	112.1	V168	G166-V168 PolarHBondContact O-N 3.29Å
167	P	98.7	Very high	97.9	Very high	51 Å²	51	36.7 Å²	36.7	33%	0.331	23%	0.234	S	C	.	.			trans	-61.1	122.2	170	-16.4	28.6	0	0	0	110.9	V104 I107 K108 I174 H175	V104-P167 HydrophobicContact CG1-CB 4.42Å; V104-P167 HydrophobicContact CG1-CG 4.37Å; I107-P167 HydrophobicContact CG2-CB 3.79Å; I107-P167 HydrophobicContact CG2-CG 3.98Å; K108-P167 HydrophobicContact CG-CG 3.71Å; P167-I174 HydrophobicContact CB-CG2 3.67Å; P167-H175 WeakPolarHBondContact CA-O 2.96Å
168	V	98.8	Very high	98	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.1	178.4	178.4	0	0	0	0	109	Q151 A155 G166 H175 I177	Q151-V168 HydrophobicContact CB-CG1 4.4Å; A155-V168 HydrophobicContact CB-CB 4.4Å; A155-V168 HydrophobicContact CB-CG1 3.96Å; A155-V168 HydrophobicContact CB-CG2 3.55Å; G166-V168 PolarHBondContact O-N 3.29Å; V168-H175 HydrophobicContact CB-CB 4.27Å; V168-H175 PolarHBondContact N-O 3.37Å; V168-H175 PolarHBondContact O-CD2 2.96Å; V168-H175 PolarHBondContact O-N 3.01Å; V168-I177 HydrophobicContact CB-CD1 4.23Å; V168-I177 HydrophobicContact CG1-CD1 4.34Å; V168-I177 HydrophobicContact CG2-CD1 4Å; V168-I177 HydrophobicContact CG2-CG1 4.45Å
169	E	98.7	Very high	98.1	Very high	91 Å²	91	34.8 Å²	34.8	43%	0.425	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.4	177.8	-178.9	173.5	-175.8	0	0	111.7	K100 Q151 I174	K100-E169 WeakPolarHBondContact CE-OE1 3.46Å; K100-E169 WeakPolarHBondContact CE-OE2 3.49Å; K100-E169 IonicContact NZ-OE1 2.79Å; K100-E169 PolarHBondContact NZ-OE1 3.35Å; K100-E169 IonicContact NZ-OE2 3.72Å; K100-E169 PolarHBondContact NZ-OE2 2.93Å; Q151-E169 WeakPolarHBondContact CB-O 3.31Å; Q151-E169 WeakPolarHBondContact CG-O 3.47Å; E169-I174 HydrophobicContact CB-CD1 3.99Å; E169-I174 HydrophobicContact CG-CD1 4.01Å
170	S	98.7	Very high	98.2	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	176.1	165.2	83.2	0	0	0	0	109.7	Q149 S172 G173 H175	Q149-S170 PolarHBondContact OE1-OG 3.49Å; S170-S172 PolarHBondContact O-N 3.48Å; S170-S172 VanDerWaalsContact O-N 3.07Å; S170-S172 WeakPolarHBondContact OG-CB 3.33Å; S170-S172 PolarHBondContact OG-N 3.26Å; S170-S172 VanDerWaalsContact OG-N 3.1Å; S170-G173 PolarHBondContact N-O 3.41Å; S170-G173 PolarHBondContact O-N 3.49Å; S170-G173 VanDerWaalsContact O-O 3.12Å; S170-H175 PolarHBondContact OG-CD2 2.85Å; S170-H175 PolarHBondContact OG-NE2 2.79Å
171	D	98.3	Very high	98.2	Very high	93 Å²	93	34.9 Å²	34.9	50%	0.497	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22	174.7	-56.7	-22.7	0	0	0	111.8	S85 R86 Q149 G173	S85-D171 CarbonylContact C-O 3.58Å; S85-D171 WeakPolarHBondContact CA-O 3.34Å; R86-D171 HydrophobicContact CB-CB 4.16Å; R86-D171 WeakPolarHBondContact CB-O 3.49Å; R86-D171 PolarHBondContact N-O 3.44Å; R86-D171 IonicContact NH1-OD2 3.73Å; Q149-D171 VanDerWaalsContact OE1-CB 3.31Å; D171-G173 VanDerWaalsContact C-N 3.31Å
172	S	98.6	Very high	98.3	Very high	24 Å²	24	32.4 Å²	32.4	17%	0.168	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.4	176.6	-71.6	0	0	0	0	113.1	K81 S85 Q149 S170	K81-S172 WeakPolarHBondContact CG-O 3.41Å; S85-S172 WeakPolarHBondContact CB-O 3.41Å; S85-S172 PolarHBondContact OG-O 2.91Å; Q149-S172 PolarHBondContact NE2-OG 2.91Å; S170-S172 PolarHBondContact O-N 3.48Å; S170-S172 VanDerWaalsContact O-N 3.07Å; S170-S172 WeakPolarHBondContact OG-CB 3.33Å; S170-S172 PolarHBondContact OG-N 3.26Å; S170-S172 VanDerWaalsContact OG-N 3.1Å
173	G	98.8	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.3	-154	-172	0	0	0	0	0	112.4	S85 S170 D171	S85-G173 WeakPolarHBondContact OG-CA 3.22Å; S170-G173 PolarHBondContact N-O 3.41Å; S170-G173 PolarHBondContact O-N 3.49Å; S170-G173 VanDerWaalsContact O-O 3.12Å; D171-G173 VanDerWaalsContact C-N 3.31Å
174	I	98.9	Very high	98.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.8	-178.9	-46.2	-59.5	0	0	0	109.7	V80 K100 A103 V104 I107 P167 E169	V80-I174 PolarHBondContact N-O 2.72Å; V80-I174 PolarHBondContact O-N 3.32Å; K100-I174 HydrophobicContact CG-CD1 4.28Å; A103-I174 HydrophobicContact CB-CB 4.44Å; A103-I174 HydrophobicContact CB-CG1 3.81Å; V104-I174 HydrophobicContact CG2-CD1 3.77Å; V104-I174 HydrophobicContact CG2-CG1 3.78Å; V104-I174 HydrophobicContact CG2-CG2 4.17Å; I107-I174 HydrophobicContact CB-CG2 4.02Å; I107-I174 HydrophobicContact CG1-CB 4.01Å; I107-I174 HydrophobicContact CG1-CG2 3.79Å; I107-I174 HydrophobicContact CG2-CG2 4.16Å; P167-I174 HydrophobicContact CB-CG2 3.67Å; E169-I174 HydrophobicContact CB-CD1 3.99Å; E169-I174 HydrophobicContact CG-CD1 4.01Å
175	H	98.9	Very high	98.5	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.7	-176.2	-59.4	-97.4	0	0	0	111.9	H77 I78 L79 F152 P167 V168 S170 I177	H77-H175 AromaticContact CE1-CE1 3.69Å; H77-H175 AromaticContact CE1-ND1 3.44Å; H77-H175 PolarHBondContact CE1-ND1 2.63Å; H77-H175 AromaticContact ND1-CE1 3.74Å; H77-H175 AromaticContact ND1-ND1 3.1Å; H77-H175 PolarHBondContact ND1-ND1 3.22Å; I78-H175 CarbonylContact O-C 3.55Å; I78-H175 VanDerWaalsContact O-CA 3.25Å; I78-H175 WeakPolarHBondContact O-CA 3.39Å; L79-H175 VanDerWaalsContact CD1-CE1 3.46Å; L79-H175 WeakPolarHBondContact CD1-CE1 3.3Å; F152-H175 HydrophobicContact CD2-CB 4.13Å; F152-H175 AromaticContact CD2-CG 3.79Å; F152-H175 AromaticContact CD2-ND1 3.74Å; F152-H175 HydrophobicContact CE2-CB 4.18Å; F152-H175 AromaticContact CE2-ND1 3.76Å; P167-H175 WeakPolarHBondContact CA-O 2.96Å; V168-H175 HydrophobicContact CB-CB 4.27Å; V168-H175 PolarHBondContact N-O 3.37Å; V168-H175 PolarHBondContact O-CD2 2.96Å; V168-H175 PolarHBondContact O-N 3.01Å; S170-H175 PolarHBondContact OG-CD2 2.85Å; S170-H175 PolarHBondContact OG-NE2 2.79Å; H175-I177 HydrophobicContact CB-CG1 4.18Å
176	L	98.9	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.4	156.5	-168.3	60.6	0	0	0	107.5	H77 I78 I107 F110 R111 I114 F121 L164 S165	H77-L176 CarbonylContact C-O 3.58Å; H77-L176 WeakPolarHBondContact CA-O 3.35Å; H77-L176 WeakPolarHBondContact CB-O 3.4Å; I78-L176 HydrophobicContact CB-CB 4.24Å; I78-L176 HydrophobicContact CD1-CD2 4.09Å; I78-L176 PolarHBondContact N-O 2.84Å; I78-L176 PolarHBondContact O-N 3.3Å; I107-L176 HydrophobicContact CD1-CB 4.05Å; I107-L176 HydrophobicContact CG2-CB 4.02Å; I107-L176 HydrophobicContact CG2-CD1 4.3Å; F110-L176 HydrophobicContact CB-CD2 4.39Å; R111-L176 HydrophobicContact CB-CD1 3.93Å; R111-L176 HydrophobicContact CB-CD2 4Å; R111-L176 HydrophobicContact CG-CD1 4.23Å; I114-L176 HydrophobicContact CD1-CD2 3.92Å; F121-L176 HydrophobicContact CE2-CD2 4.2Å; F121-L176 HydrophobicContact CE2-CG 4.14Å; L164-L176 HydrophobicContact CD1-CD1 4.21Å; L164-L176 HydrophobicContact CD1-CD2 4.07Å; L164-L176 HydrophobicContact CD1-CG 3.83Å; L164-L176 HydrophobicContact CD2-CD1 4.45Å; L164-L176 HydrophobicContact CD2-CD2 4.26Å; L164-L176 HydrophobicContact CG-CD1 4.02Å; L164-L176 HydrophobicContact CG-CD2 4.38Å; L164-L176 HydrophobicContact CG-CG 4.18Å; S165-L176 WeakPolarHBondContact O-CD1 3.43Å
177	I	98.9	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.2	-174.3	-50.3	179.2	0	0	0	108.3	C75 F152 A155 A156 L159 L164 S165 V168 H175	C75-I177 HydrophobicContact CB-CG2 3.91Å; F152-I177 HydrophobicContact CD1-CD1 4.27Å; F152-I177 HydrophobicContact CD2-CD1 3.46Å; F152-I177 VanDerWaalsContact CD2-CD1 3.46Å; F152-I177 HydrophobicContact CD2-CG1 4.02Å; F152-I177 HydrophobicContact CE1-CD1 4.23Å; F152-I177 HydrophobicContact CE2-CD1 3.41Å; F152-I177 VanDerWaalsContact CE2-CD1 3.41Å; F152-I177 HydrophobicContact CE2-CG1 3.5Å; F152-I177 HydrophobicContact CG-CD1 3.9Å; F152-I177 HydrophobicContact CZ-CD1 3.81Å; F152-I177 HydrophobicContact CZ-CG1 3.93Å; F152-I177 HydrophobicContact CZ-CG2 4.12Å; A155-I177 HydrophobicContact CB-CD1 3.91Å; A156-I177 HydrophobicContact CB-CG2 4.32Å; L159-I177 HydrophobicContact CD1-CB 4.05Å; L159-I177 HydrophobicContact CD1-CG2 3.85Å; L164-I177 CarbonylContact C-O 3.34Å; L164-I177 WeakPolarHBondContact CA-O 3.38Å; S165-I177 PolarHBondContact N-O 3.13Å; S165-I177 PolarHBondContact OG-N 3Å; S165-I177 PolarHBondContact OG-O 3.19Å; V168-I177 HydrophobicContact CB-CD1 4.23Å; V168-I177 HydrophobicContact CG1-CD1 4.34Å; V168-I177 HydrophobicContact CG2-CD1 4Å; V168-I177 HydrophobicContact CG2-CG1 4.45Å; H175-I177 HydrophobicContact CB-CG1 4.18Å
178	L	98.8	Very high	98.4	Very high	38 Å²	38	28.2 Å²	28.2	20%	0.199	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.1	167.8	174.5	63.1	0	0	0	107.7	C75 S76 F121 G162 L164 T180	C75-L178 CarbonylContact C-O 3.55Å; C75-L178 VanDerWaalsContact CA-O 3.23Å; C75-L178 WeakPolarHBondContact CA-O 3.24Å; C75-L178 WeakPolarHBondContact CB-O 3.34Å; S76-L178 PolarHBondContact N-O 3.38Å; S76-L178 PolarHBondContact O-N 3.15Å; F121-L178 HydrophobicContact CB-CD2 4.29Å; F121-L178 HydrophobicContact CD1-CD2 4.37Å; F121-L178 HydrophobicContact CD2-CB 3.95Å; F121-L178 HydrophobicContact CD2-CD2 4.2Å; F121-L178 HydrophobicContact CE1-CB 4.41Å; F121-L178 HydrophobicContact CE2-CB 3.71Å; F121-L178 HydrophobicContact CG-CB 4.42Å; F121-L178 HydrophobicContact CG-CD2 4.02Å; F121-L178 HydrophobicContact CZ-CB 3.97Å; G162-L178 WeakPolarHBondContact O-CD1 3.44Å; L164-L178 HydrophobicContact CD1-CB 3.95Å; L164-L178 HydrophobicContact CD1-CD1 4.37Å; L178-T180 HydrophobicContact CD2-CG2 4.23Å; L178-T180 HydrophobicContact CG-CG2 4.09Å
179	R	98.5	Very high	98.4	Very high	27 Å²	27	28.9 Å²	28.9	10%	0.102	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.1	172.2	-175.6	179.1	174.1	-170.5	-10.9	109.3	L159 G162 E163 A181	L159-R179 HydrophobicContact CB-CB 3.83Å; L159-R179 HydrophobicContact CD1-CB 4.21Å; L159-R179 WeakPolarHBondContact O-CD 3.18Å; L159-R179 PolarHBondContact O-NH1 2.65Å; G162-R179 WeakPolarHBondContact CA-O 3.38Å; G162-R179 PolarHBondContact N-O 2.95Å; E163-R179 PolarHBondContact O-N 2.76Å; E163-R179 VanDerWaalsContact O-N 3.11Å; R179-A181 WeakPolarHBondContact CG-O 3.36Å; R179-A181 PolarHBondContact NE-O 2.77Å; R179-A181 PolarHBondContact NE-OXT 3.4Å; R179-A181 PolarHBondContact NH2-OXT 3.3Å
180	T	98.2	Very high	98.4	Very high	56 Å²	56	23.8 Å²	23.8	34%	0.344	14%	0.139	S	C	.	.			trans	-113.4	-13.9	-176.3	55.2	0	0	0	0	113.6	K74 L178	K74-T180 VanDerWaalsContact CG-OG1 3.32Å; K74-T180 WeakPolarHBondContact CG-OG1 3.26Å; K74-T180 PolarHBondContact O-N 2.8Å; K74-T180 PolarHBondContact O-OG1 3.23Å; L178-T180 HydrophobicContact CD2-CG2 4.23Å; L178-T180 HydrophobicContact CG-CG2 4.09Å
181	A	95.2	Very high	98.4	Very high	35 Å²	35	25.5 Å²	25.5	29%	0.289	15%	0.148	S	C	.	.			trans	-157.7	0	166.1	0	0	0	0	0	111	V73 K74 Y142 V161 R179	V73-A181 CarbonylContact C-O 3.51Å; V73-A181 WeakPolarHBondContact CA-O 3.26Å; K74-A181 HydrophobicContact CB-CB 3.7Å; K74-A181 PolarHBondContact N-O 3.37Å; K74-A181 PolarHBondContact O-N 3.45Å; Y142-A181 HydrophobicContact CE1-CB 3.74Å; Y142-A181 WeakPolarHBondContact OH-CB 3Å; V161-A181 VanDerWaalsContact CG2-OXT 3.25Å; V161-A181 WeakPolarHBondContact CG2-OXT 3.31Å; R179-A181 WeakPolarHBondContact CG-O 3.36Å; R179-A181 PolarHBondContact NE-O 2.77Å; R179-A181 PolarHBondContact NE-OXT 3.4Å; R179-A181 PolarHBondContact NH2-OXT 3.3Å

Retrieved 181 of 181 residues in 319.3 ms (Link to these results)

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